5-azanyl-1-(4-oxidanylidene-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(4-oxidanylidene-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(4-keto-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazole-4-carbonitrile Formula: C12H12N6O MolecularWeight: 256.26328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC(=NC(=O)C2C1)N3C(=C(C=N3)C#N)N

Isomeric SMILES

C1CCC2=NC(=NC(=O)C2C1)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C12H12N6O/c13-5-7-6-15-18(10(7)14)12-16-9-4-2-1-3-8(9)11(19)17-12/h6,8H,1-4,14H2