2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[1,3-dimethyl-7-(4-nitrophenyl)-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[2,4-diketo-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidin-5-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C22H17N7O7S MolecularWeight: 523.47808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C22H17N7O7S/c1-26-19-17(21(31)27(2)22(26)32)20(25-18(24-19)12-6-8-14(9-7-12)28(33)34)37-11-16(30)23-13-4-3-5-15(10-13)29(35)36/h3-10H,11H2,1-2H3,(H,23,30)