4-[2-(7,7-dimethyl-4-oxidanylidene-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(7,7-dimethyl-4-oxidanylidene-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-(7,7-dimethyl-4-oxo-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)ethyl]benzonitrile CAS Name: 4-[2-[7,7-dimethyl-4-oxo-2-(4-pyrimidinyl)-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl]ethyl]benzonitrile IUPAC Name: 4-[2-(7,7-dimethyl-4-oxo-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)ethyl]benzonitrile Traditional Name: 4-[2-[4-keto-7,7-dimethyl-2-(4-pyrimidyl)-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl]ethyl]benzonitrile Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=NC(=CC(=O)N2C1)C3=NC=NC=C3)CCC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1(CN(C2=NC(=CC(=O)N2C1)C3=NC=NC=C3)CCC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C22H22N6O/c1-22(2)13-27(10-8-16-3-5-17(12-23)6-4-16)21-26-19(11-20(29)28(21)14-22)18-7-9-24-15-25-18/h3-7,9,11,15H,8,10,13-14H2,1-2H3