[4,5-diacetyloxy-6-[6-methyl-2-methylsulfanyl-4,7-bis(oxidanylidene)-1H-pteridin-8-yl]oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[6-methyl-2-methylsulfanyl-4,7-bis(oxidanylidene)-1H-pteridin-8-yl]oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-(6-methyl-2-methylsulfanyl-4,7-dioxo-1H-pteridin-8-yl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[6-methyl-2-(methylthio)-4,7-dioxo-1H-pteridin-8-yl]-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-(6-methyl-2-methylsulfanyl-4,7-dioxo-1H-pteridin-8-yl)oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[4,7-diketo-6-methyl-2-(methylthio)-1H-pteridin-8-yl]tetrahydropyran-3-yl] ester Formula: C19H22N4O9S MolecularWeight: 482.46438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(NC(=NC2=O)SC)N(C1=O)C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=NC2=C(NC(=NC2=O)SC)N(C1=O)C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C19H22N4O9S/c1-7-17(28)23(15-12(20-7)16(27)22-19(21-15)33-5)18-14(32-10(4)26)13(31-9(3)25)11(6-29-18)30-8(2)24/h11,13-14,18H,6H2,1-5H3,(H,21,22,27)