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

Systemtic Name: 2-[7-ethyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanoate Openeye Name: 2-(7-ethyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate CAS Name: 2-[(7-ethyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]acetate IUPAC Name: 2-(7-ethyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate Traditional Name: 2-[(7-ethyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetate Formula: C12H13N4O4S- MolecularWeight: 309.32102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)SCC(=O)[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)SCC(=O)[O-])C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H14N4O4S/c1-4-6-13-9-8(10(14-6)21-5-7(17)18)11(19)16(3)12(20)15(9)2/h4-5H2,1-3H3,(H,17,18)/p-1