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

Systemtic Name: 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanamide Openeye Name: 2-[1,3-dimethyl-2,4-dioxo-7-(2-thienyl)pyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide CAS Name: 2-[(1,3-dimethyl-2,4-dioxo-7-thiophen-2-yl-5-pyrimido[4,5-d]pyrimidinyl)thio]acetamide IUPAC Name: 2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: 2-[[2,4-diketo-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidin-5-yl]thio]acetamide Formula: C14H13N5O3S2 MolecularWeight: 363.41472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3S2/c1-18-11-9(13(21)19(2)14(18)22)12(24-6-8(15)20)17-10(16-11)7-4-3-5-23-7/h3-5H,6H2,1-2H3,(H2,15,20)