3-[2,6-bis(chloranyl)phenyl]-7-methylsulfonyl-1-(phenylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-[2,6-bis(chloranyl)phenyl]-7-methylsulfonyl-1-(phenylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-benzyl-3-(2,6-dichlorophenyl)-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2,6-dichlorophenyl)-7-methylsulfonyl-1-(phenylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-benzyl-3-(2,6-dichlorophenyl)-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-benzyl-3-(2,6-dichlorophenyl)-7-mesyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C20H16Cl2N4O3S MolecularWeight: 463.33704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C2CN(C(=O)N(C2=N1)CC3=CC=CC=C3)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C2CN(C(=O)N(C2=N1)CC3=CC=CC=C3)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C20H16Cl2N4O3S/c1-30(28,29)19-23-10-14-12-25(17-15(21)8-5-9-16(17)22)20(27)26(18(14)24-19)11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3