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

Systemtic Name: 3,6-bis(azanyl)-N-(4-bromanyl-3-methyl-phenyl)-5-cyano-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3,6-diamino-N-(4-bromo-3-methyl-phenyl)-5-cyano-thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3,6-diamino-N-(4-bromo-3-methylphenyl)-5-cyano-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3,6-diamino-N-(4-bromo-3-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3,6-diamino-N-(4-bromo-3-methyl-phenyl)-5-cyano-thieno[2,3-b]pyridine-2-carboxamide Formula: C16H12BrN5OS MolecularWeight: 402.26838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(C(=C3)C#N)N)N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(C(=C3)C#N)N)N)Br

InChI

InChI=1S/C16H12BrN5OS/c1-7-4-9(2-3-11(7)17)21-15(23)13-12(19)10-5-8(6-18)14(20)22-16(10)24-13/h2-5H,19H2,1H3,(H2,20,22)(H,21,23)