7-[(4-bromanyl-3-methyl-phenyl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Systemtic Name: 7-[(4-bromanyl-3-methyl-phenyl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Openeye Name: 7-(4-bromo-3-methyl-anilino)-6-(2-thienylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one CAS Name: 7-(4-bromo-3-methylanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one IUPAC Name: 7-(4-bromo-3-methylanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Traditional Name: 7-(4-bromo-3-methyl-anilino)-6-(2-thenyl)-7H-pyrrolo[3,4-b]pyridin-5-one Formula: C19H16BrN3OS MolecularWeight: 414.31884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4)Br

InChI

InChI=1S/C19H16BrN3OS/c1-12-10-13(6-7-16(12)20)22-18-17-15(5-2-8-21-17)19(24)23(18)11-14-4-3-9-25-14/h2-10,18,22H,11H2,1H3