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

Systemtic Name: 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanoate Openeye Name: 2-(1,3-dimethyl-2,4-dioxo-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate CAS Name: 2-[(1,3-dimethyl-2,4-dioxo-7-phenyl-5-pyrimido[4,5-d]pyrimidinyl)thio]acetate IUPAC Name: 2-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate Traditional Name: 2-[(2,4-diketo-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetate Formula: C16H13N4O4S- MolecularWeight: 357.36382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C16H14N4O4S/c1-19-13-11(15(23)20(2)16(19)24)14(25-8-10(21)22)18-12(17-13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,21,22)/p-1