4-[(3-bromophenyl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-7-one

Systemtic Name: 4-[(3-bromophenyl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-7-one Openeye Name: 4-(3-bromoanilino)-6,8-dihydro-5H-benzothiopheno[2,3-d]pyrimidin-7-one CAS Name: 4-(3-bromoanilino)-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-7-one IUPAC Name: 4-(3-bromoanilino)-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-7-one Traditional Name: 4-(3-bromoanilino)-6,8-dihydro-5H-benzothiopheno[2,3-d]pyrimidin-7-one Formula: C16H12BrN3OS MolecularWeight: 374.25498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1=O)SC3=NC=NC(=C23)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CC2=C(CC1=O)SC3=NC=NC(=C23)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C16H12BrN3OS/c17-9-2-1-3-10(6-9)20-15-14-12-5-4-11(21)7-13(12)22-16(14)19-8-18-15/h1-3,6,8H,4-5,7H2,(H,18,19,20)