2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-veratryl-acetamide Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC(=CC(=N2)N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC(=CC(=N2)N)N)OC

InChI

InChI=1S/C15H19N5O3S/c1-22-10-4-3-9(5-11(10)23-2)7-18-14(21)8-24-15-19-12(16)6-13(17)20-15/h3-6H,7-8H2,1-2H3,(H,18,21)(H4,16,17,19,20)