3-[(4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-[(4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(4-keto-1H-pyrido[2,3-d]pyrimidin-2-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SC3=NC(=O)C4=C(N3)N=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SC3=NC(=O)C4=C(N3)N=CC=C4

InChI

InChI=1S/C17H14N4O2S/c22-15-11-5-3-9-18-14(11)20-17(21-15)24-13-8-7-10-4-1-2-6-12(10)19-16(13)23/h1-6,9,13H,7-8H2,(H,19,23)(H,18,20,21,22)