2-[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]-N-propyl-ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]-N-propyl-ethanamide Openeye Name: 2-[(4,6-diamino-3-cyano-2-pyridyl)sulfanyl]-N-propyl-N-(p-tolylmethyl)acetamide CAS Name: 2-[(4,6-diamino-3-cyano-2-pyridinyl)thio]-N-[(4-methylphenyl)methyl]-N-propylacetamide IUPAC Name: 2-(4,6-diamino-3-cyanopyridin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]-N-propylacetamide Traditional Name: 2-[(4,6-diamino-3-cyano-2-pyridyl)thio]-N-(4-methylbenzyl)-N-propyl-acetamide Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)CSC2=C(C(=CC(=N2)N)N)C#N

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)CSC2=C(C(=CC(=N2)N)N)C#N

InChI

InChI=1S/C19H23N5OS/c1-3-8-24(11-14-6-4-13(2)5-7-14)18(25)12-26-19-15(10-20)16(21)9-17(22)23-19/h4-7,9H,3,8,11-12H2,1-2H3,(H4,21,22,23)