5-(4-bromophenyl)-2-(phenylmethylsulfanyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-2-(phenylmethylsulfanyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-(4-bromophenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-(phenylmethylthio)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-(4-bromophenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(4-bromophenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Formula: C19H14BrN3OS MolecularWeight: 412.30296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)NC=C3C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)NC=C3C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H14BrN3OS/c20-14-8-6-13(7-9-14)15-10-21-17-16(15)18(24)23-19(22-17)25-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,21,22,23,24)