3-(2-chlorophenyl)-7-(1-oxidanylpropan-2-ylamino)-1-piperidin-4-yl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-chlorophenyl)-7-(1-oxidanylpropan-2-ylamino)-1-piperidin-4-yl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-chlorophenyl)-7-[(2-hydroxy-1-methyl-ethyl)amino]-1-(4-piperidyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chlorophenyl)-7-(1-hydroxypropan-2-ylamino)-1-(4-piperidinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chlorophenyl)-7-(1-hydroxypropan-2-ylamino)-1-piperidin-4-yl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chlorophenyl)-7-[(2-hydroxy-1-methyl-ethyl)amino]-1-(4-piperidyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C20H25ClN6O2 MolecularWeight: 416.9045

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC=C2CN(C(=O)N(C2=N1)C3CCNCC3)C4=CC=CC=C4Cl

Isomeric SMILES

CC(CO)NC1=NC=C2CN(C(=O)N(C2=N1)C3CCNCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H25ClN6O2/c1-13(12-28)24-19-23-10-14-11-26(17-5-3-2-4-16(17)21)20(29)27(18(14)25-19)15-6-8-22-9-7-15/h2-5,10,13,15,22,28H,6-9,11-12H2,1H3,(H,23,24,25)