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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[[1,3-dimethyl-7-(4-nitrophenyl)-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[1,3-dimethyl-7-(4-nitrophenyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide Traditional Name: N-(2-chlorobenzyl)-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:

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)NCC4=CC=CC=C4Cl)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)NCC4=CC=CC=C4Cl)C(=O)N(C1=O)C

InChI

InChI=1S/C23H19ClN6O5S/c1-28-20-18(22(32)29(2)23(28)33)21(27-19(26-20)13-7-9-15(10-8-13)30(34)35)36-12-17(31)25-11-14-5-3-4-6-16(14)24/h3-10H,11-12H2,1-2H3,(H,25,31)