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

Systemtic Name: 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[1,3-dimethyl-2,4-dioxo-7-(2-thienyl)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[(1,3-dimethyl-2,4-dioxo-7-thiophen-2-yl-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: 2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[[2,4-diketo-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidin-5-yl]thio]-N-phenyl-acetamide Formula: C20H17N5O3S2 MolecularWeight: 439.51068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)NC4=CC=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)NC4=CC=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C20H17N5O3S2/c1-24-17-15(19(27)25(2)20(24)28)18(23-16(22-17)13-9-6-10-29-13)30-11-14(26)21-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H,21,26)