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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[1,3-dimethyl-7-(4-nitrophenyl)-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[2,4-diketo-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidin-5-yl]thio]acetamide Formula: C23H19ClN6O5S MolecularWeight: 526.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H19ClN6O5S/c1-12-4-7-14(10-16(12)24)25-17(31)11-36-21-18-20(28(2)23(33)29(3)22(18)32)26-19(27-21)13-5-8-15(9-6-13)30(34)35/h4-10H,11H2,1-3H3,(H,25,31)