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

Systemtic Name: ethyl 4-[[1-methyl-3-(2-methylphenyl)-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-methyl-3-(o-tolyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-methyl-3-(2-methylphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-methyl-3-(2-methylphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-keto-1-methyl-3-(o-tolyl)-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=C3CN(C(=O)N(C3=N2)C)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=C3CN(C(=O)N(C3=N2)C)C4=CC=CC=C4C

InChI

InChI=1S/C22H28N6O3/c1-4-31-22(30)27-11-9-17(10-12-27)24-20-23-13-16-14-28(18-8-6-5-7-15(18)2)21(29)26(3)19(16)25-20/h5-8,13,17H,4,9-12,14H2,1-3H3,(H,23,24,25)