3-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SC2CCC3=CC=CC=C3NC2=O)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SC2CCC3=CC=CC=C3NC2=O)C

InChI

InChI=1S/C16H17N3O2S/c1-9-10(2)17-16(19-14(9)20)22-13-8-7-11-5-3-4-6-12(11)18-15(13)21/h3-6,13H,7-8H2,1-2H3,(H,18,21)(H,17,19,20)