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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[2,4-diketo-7-(4-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl]thio]acetamide Formula: C24H22ClN5O4S MolecularWeight: 511.98058

Click to see the large picture

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)OC)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)OC)Cl

InChI

InChI=1S/C24H22ClN5O4S/c1-13-5-8-15(11-17(13)25)26-18(31)12-35-22-19-21(29(2)24(33)30(3)23(19)32)27-20(28-22)14-6-9-16(34-4)10-7-14/h5-11H,12H2,1-4H3,(H,26,31)