7-[(4-chlorophenyl)methyl]-3-methyl-8-[(prop-2-en-1-yl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione



Compound number:
MolPort-000-121-561
IUPAC:
7-[(4-chlorophenyl)methyl]-3-methyl-8-[(prop-2-en-1-yl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC traditional:
7-[(4-chlorophenyl)methyl]-3-methyl-8-(prop-2-en-1-ylamino)-1H-purine-2,6-dione
SMILES:
Cn1c2nc(NCC=C)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O
InChI key:
UDRZKJMPHGEFEG-UHFFFAOYSA-N
Molecular formula:
C16H16ClN5O2
Molecular weight: 345.79
Solubility: not available

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 8 business days Purity: 90
Last updated: this month In warehouse: 110.00 mg
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5 micromol January 27, 2021 42.70 USD
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10 micromol January 27, 2021 54.90 USD
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20 micromol January 27, 2021 65.90 USD
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Direct S&H to USA: 105.00 USD
Direct S&H to World: 105.00 USD

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Supplier Catalogue Data


Catalog: Building blocks Ships out: 7 business days Purity: 95%
Last updated: this month In warehouse: 110.00 mg
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50 mg January 26, 2021 99.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-000-121-561

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000004911551
MFCD07395094
7-[(4-chlorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)-1,3,7-trihydropurine- 2,6-dione

InChI
InChI: 1S/C16H16ClN5O2/c1-3-8-18-15-19-13-12(14(23)20-16(24)21(13)2)22(15)9-10-4-6-11(17)7-5-10/h3-7H,1,8-9H2,2H3,(H,18,19)(H,20,23,24)
InChI key: UDRZKJMPHGEFEG-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C16H16ClN5O2
Molecular weight: 345.79

Other

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