2-[3-[3-[3-(2,4-dichlorophenyl)-7-methylsulfonyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[3-[3-(2,4-dichlorophenyl)-7-methylsulfonyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-[3-(2,4-dichlorophenyl)-7-methylsulfonyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[3-[3-(2,4-dichlorophenyl)-7-methylsulfonyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-[3-(2,4-dichlorophenyl)-7-methylsulfonyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[3-[3-(2,4-dichlorophenyl)-2-keto-7-mesyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]propyl]isoindoline-1,3-quinone Formula: C30H23Cl2N5O5S MolecularWeight: 636.50512

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C2CN(C(=O)N(C2=N1)C3=CC=CC(=C3)CCCN4C(=O)C5=CC=CC=C5C4=O)C6=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C2CN(C(=O)N(C2=N1)C3=CC=CC(=C3)CCCN4C(=O)C5=CC=CC=C5C4=O)C6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C30H23Cl2N5O5S/c1-43(41,42)29-33-16-19-17-36(25-12-11-20(31)15-24(25)32)30(40)37(26(19)34-29)21-8-4-6-18(14-21)7-5-13-35-27(38)22-9-2-3-10-23(22)28(35)39/h2-4,6,8-12,14-16H,5,7,13,17H2,1H3