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

Systemtic Name: 7-[(4-bromophenyl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Openeye Name: 7-(4-bromoanilino)-6-(2-thienylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one CAS Name: 7-(4-bromoanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one IUPAC Name: 7-(4-bromoanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Traditional Name: 7-(4-bromoanilino)-6-(2-thenyl)-7H-pyrrolo[3,4-b]pyridin-5-one Formula: C18H14BrN3OS MolecularWeight: 400.29226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(N(C2=O)CC3=CC=CS3)NC4=CC=C(C=C4)Br)N=C1

Isomeric SMILES

C1=CC2=C(C(N(C2=O)CC3=CC=CS3)NC4=CC=C(C=C4)Br)N=C1

InChI

InChI=1S/C18H14BrN3OS/c19-12-5-7-13(8-6-12)21-17-16-15(4-1-9-20-16)18(23)22(17)11-14-3-2-10-24-14/h1-10,17,21H,11H2