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

Systemtic Name: 2-[7-cyclopropyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanoate Openeye Name: 2-(7-cyclopropyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate CAS Name: 2-[(7-cyclopropyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]acetate IUPAC Name: 2-(7-cyclopropyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate Traditional Name: 2-[(7-cyclopropyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetate Formula: C13H13N4O4S- MolecularWeight: 321.33172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C13H14N4O4S/c1-16-10-8(12(20)17(2)13(16)21)11(22-5-7(18)19)15-9(14-10)6-3-4-6/h6H,3-5H2,1-2H3,(H,18,19)/p-1