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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=N1)SCC(=O)[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)C1=NC2=C(C(=N1)SCC(=O)[O-])C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H16N4O4S/c1-6(2)9-14-10-8(11(15-9)22-5-7(18)19)12(20)17(4)13(21)16(10)3/h6H,5H2,1-4H3,(H,18,19)/p-1