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

Systemtic Name: 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanoate Openeye Name: 2-(1,3-dimethyl-2,4-dioxo-7-propyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate CAS Name: 2-[(1,3-dimethyl-2,4-dioxo-7-propyl-5-pyrimido[4,5-d]pyrimidinyl)thio]acetate IUPAC Name: 2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetate Traditional Name: 2-[(2,4-diketo-1,3-dimethyl-7-propyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetate Formula: C13H15N4O4S- MolecularWeight: 323.3476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC(=O)[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCC(=O)[O-])C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H16N4O4S/c1-4-5-7-14-10-9(11(15-7)22-6-8(18)19)12(20)17(3)13(21)16(10)2/h4-6H2,1-3H3,(H,18,19)/p-1