3-(2-chlorophenyl)-1-methyl-7-(2-oxidanylpropylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-chlorophenyl)-1-methyl-7-(2-oxidanylpropylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-chlorophenyl)-7-(2-hydroxypropylamino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chlorophenyl)-7-(2-hydroxypropylamino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chlorophenyl)-7-(2-hydroxypropylamino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chlorophenyl)-7-(2-hydroxypropylamino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC=C2CN(C(=O)N(C2=N1)C)C3=CC=CC=C3Cl)O

Isomeric SMILES

CC(CNC1=NC=C2CN(C(=O)N(C2=N1)C)C3=CC=CC=C3Cl)O

InChI

InChI=1S/C16H18ClN5O2/c1-10(23)7-18-15-19-8-11-9-22(13-6-4-3-5-12(13)17)16(24)21(2)14(11)20-15/h3-6,8,10,23H,7,9H2,1-2H3,(H,18,19,20)