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

Systemtic Name: 2-[4-[[1-methyl-3-(2-methylphenyl)-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanenitrile Openeye Name: 2-[4-[[1-methyl-3-(o-tolyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-piperidyl]acetonitrile CAS Name: 2-[4-[[1-methyl-3-(2-methylphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-piperidinyl]acetonitrile IUPAC Name: 2-[4-[[1-methyl-3-(2-methylphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]acetonitrile Traditional Name: 2-[4-[[2-keto-1-methyl-3-(o-tolyl)-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]piperidino]acetonitrile Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC3=CN=C(N=C3N(C2=O)C)NC4CCN(CC4)CC#N

Isomeric SMILES

CC1=CC=CC=C1N2CC3=CN=C(N=C3N(C2=O)C)NC4CCN(CC4)CC#N

InChI

InChI=1S/C21H25N7O/c1-15-5-3-4-6-18(15)28-14-16-13-23-20(25-19(16)26(2)21(28)29)24-17-7-10-27(11-8-17)12-9-22/h3-6,13,17H,7-8,10-12,14H2,1-2H3,(H,23,24,25)