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

Systemtic Name: 3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C14H14N4O2S MolecularWeight: 302.35156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2S/c15-11-7-12(19)18-14(17-11)21-10-6-5-8-3-1-2-4-9(8)16-13(10)20/h1-4,7,10H,5-6H2,(H,16,20)(H3,15,17,18,19)