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

Systemtic Name: 2-[3-(2-chlorophenyl)-7-[(4-oxidanylcyclohexyl)amino]-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]-2-methyl-propanamide Openeye Name: 2-[3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-2-methyl-propanamide CAS Name: 2-[3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-2-methylpropanamide IUPAC Name: 2-[3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-2-methylpropanamide Traditional Name: 2-[3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-2-keto-4H-pyrimido[4,5-d]pyrimidin-1-yl]-2-methyl-propionamide Formula: C22H27ClN6O3 MolecularWeight: 458.94118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N)N1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)NC4CCC(CC4)O

Isomeric SMILES

CC(C)(C(=O)N)N1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)NC4CCC(CC4)O

InChI

InChI=1S/C22H27ClN6O3/c1-22(2,19(24)31)29-18-13(12-28(21(29)32)17-6-4-3-5-16(17)23)11-25-20(27-18)26-14-7-9-15(30)10-8-14/h3-6,11,14-15,30H,7-10,12H2,1-2H3,(H2,24,31)(H,25,26,27)