1,2-bis(azanyl)-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 1,2-bis(azanyl)-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1,2-diamino-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 1,2-diamino-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 1,2-diamino-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 1,2-diamino-6-keto-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C15H16N6O MolecularWeight: 296.32714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=CC=CC=C21)C3=C(C(=O)N(C(=N3)N)N)C#N

Isomeric SMILES

C1CN(CCC2=CC=CC=C21)C3=C(C(=O)N(C(=N3)N)N)C#N

InChI

InChI=1S/C15H16N6O/c16-9-12-13(19-15(17)21(18)14(12)22)20-7-5-10-3-1-2-4-11(10)6-8-20/h1-4H,5-8,18H2,(H2,17,19)