3,6-bis(azanyl)-5-cyano-N-[(4-methylphenyl)methyl]-4-phenyl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N-[(4-methylphenyl)methyl]-4-phenyl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-4-phenyl-N-(p-tolylmethyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N-[(4-methylphenyl)methyl]-4-phenyl-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3,6-diamino-5-cyano-N-[(4-methylphenyl)methyl]-4-phenylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-(4-methylbenzyl)-4-phenyl-thieno[2,3-b]pyridine-2-carboxamide Formula: C23H19N5OS MolecularWeight: 413.49486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC=CC=C4)C#N)N)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC=CC=C4)C#N)N)N

InChI

InChI=1S/C23H19N5OS/c1-13-7-9-14(10-8-13)12-27-22(29)20-19(25)18-17(15-5-3-2-4-6-15)16(11-24)21(26)28-23(18)30-20/h2-10H,12,25H2,1H3,(H2,26,28)(H,27,29)