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

Systemtic Name: 3-[4-[[1-methyl-3-(2-methylphenyl)-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]propanenitrile Openeye Name: 3-[4-[[1-methyl-3-(o-tolyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-piperidyl]propanenitrile CAS Name: 3-[4-[[1-methyl-3-(2-methylphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-piperidinyl]propanenitrile IUPAC Name: 3-[4-[[1-methyl-3-(2-methylphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]propanenitrile Traditional Name: 3-[4-[[2-keto-1-methyl-3-(o-tolyl)-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]piperidino]propionitrile Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7O/c1-16-6-3-4-7-19(16)29-15-17-14-24-21(26-20(17)27(2)22(29)30)25-18-8-12-28(13-9-18)11-5-10-23/h3-4,6-7,14,18H,5,8-9,11-13,15H2,1-2H3,(H,24,25,26)