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

Systemtic Name: 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[1,3-dimethyl-2,4-dioxo-7-(2-thienyl)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,4-dioxo-7-thiophen-2-yl-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2,4-diketo-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidin-5-yl]thio]-N-(p-tolyl)acetamide Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CS4

InChI

InChI=1S/C21H19N5O3S2/c1-12-6-8-13(9-7-12)22-15(27)11-31-19-16-18(25(2)21(29)26(3)20(16)28)23-17(24-19)14-5-4-10-30-14/h4-10H,11H2,1-3H3,(H,22,27)