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

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanoate Openeye Name: 2-(7-butyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate CAS Name: 2-[(7-butyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]acetate IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate Traditional Name: 2-[(7-butyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetate Formula: C14H17N4O4S- MolecularWeight: 337.37418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)SCC(=O)[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)SCC(=O)[O-])C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H18N4O4S/c1-4-5-6-8-15-11-10(12(16-8)23-7-9(19)20)13(21)18(3)14(22)17(11)2/h4-7H2,1-3H3,(H,19,20)/p-1