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

Systemtic Name: 3-[2,6-bis(chloranyl)phenyl]-7-methylsulfonyl-1-(pyridin-3-ylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2,6-dichlorophenyl)-7-methylsulfonyl-1-(3-pyridylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2,6-dichlorophenyl)-7-methylsulfonyl-1-(3-pyridinylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2,6-dichlorophenyl)-7-methylsulfonyl-1-(pyridin-3-ylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2,6-dichlorophenyl)-7-mesyl-1-(3-pyridylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C19H15Cl2N5O3S MolecularWeight: 464.3251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15Cl2N5O3S/c1-30(28,29)18-23-9-13-11-25(16-14(20)5-2-6-15(16)21)19(27)26(17(13)24-18)10-12-4-3-7-22-8-12/h2-9H,10-11H2,1H3