N-[3-[2,6-bis(chloranyl)phenyl]-2-oxidanylidene-1-(pyridin-3-ylmethyl)-4H-pyrimido[4,5-d]pyrimidin-7-yl]methanesulfonamide

Systemtic Name: N-[3-[2,6-bis(chloranyl)phenyl]-2-oxidanylidene-1-(pyridin-3-ylmethyl)-4H-pyrimido[4,5-d]pyrimidin-7-yl]methanesulfonamide Openeye Name: N-[3-(2,6-dichlorophenyl)-2-oxo-1-(3-pyridylmethyl)-4H-pyrimido[4,5-d]pyrimidin-7-yl]methanesulfonamide CAS Name: N-[3-(2,6-dichlorophenyl)-2-oxo-1-(3-pyridinylmethyl)-4H-pyrimido[4,5-d]pyrimidin-7-yl]methanesulfonamide IUPAC Name: N-[3-(2,6-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-4H-pyrimido[4,5-d]pyrimidin-7-yl]methanesulfonamide Traditional Name: N-[3-(2,6-dichlorophenyl)-2-keto-1-(3-pyridylmethyl)-4H-pyrimido[4,5-d]pyrimidin-7-yl]methanesulfonamide Formula: C19H16Cl2N6O3S MolecularWeight: 479.33974

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=NC=C2CN(C(=O)N(C2=N1)CC3=CN=CC=C3)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CS(=O)(=O)NC1=NC=C2CN(C(=O)N(C2=N1)CC3=CN=CC=C3)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C19H16Cl2N6O3S/c1-31(29,30)25-18-23-9-13-11-26(16-14(20)5-2-6-15(16)21)19(28)27(17(13)24-18)10-12-4-3-7-22-8-12/h2-9H,10-11H2,1H3,(H,23,24,25)