3-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2,4-dichlorophenyl)-7-mesyl-1-(4-methylolphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C20H16Cl2N4O4S MolecularWeight: 479.33644

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C2CN(C(=O)N(C2=N1)C3=CC=C(C=C3)CO)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C2CN(C(=O)N(C2=N1)C3=CC=C(C=C3)CO)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H16Cl2N4O4S/c1-31(29,30)19-23-9-13-10-25(17-7-4-14(21)8-16(17)22)20(28)26(18(13)24-19)15-5-2-12(11-27)3-6-15/h2-9,27H,10-11H2,1H3