2-[[3-(2-chlorophenyl)-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]-piperidin-4-yl-amino]ethanenitrile

Systemtic Name: 2-[[3-(2-chlorophenyl)-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]-piperidin-4-yl-amino]ethanenitrile Openeye Name: 2-[[3-(2-chlorophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]-(4-piperidyl)amino]acetonitrile CAS Name: 2-[[3-(2-chlorophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]-(4-piperidinyl)amino]acetonitrile IUPAC Name: 2-[[3-(2-chlorophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]-piperidin-4-ylamino]acetonitrile Traditional Name: 2-[[3-(2-chlorophenyl)-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-(4-piperidyl)amino]acetonitrile Formula: C20H22ClN7O MolecularWeight: 411.88798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)N(CC#N)C4CCNCC4

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)N(CC#N)C4CCNCC4

InChI

InChI=1S/C20H22ClN7O/c1-26-18-14(13-28(20(26)29)17-5-3-2-4-16(17)21)12-24-19(25-18)27(11-8-22)15-6-9-23-10-7-15/h2-5,12,15,23H,6-7,9-11,13H2,1H3