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

Systemtic Name: [5-acetyloxy-2-[6-methyl-2-methylsulfanyl-4,7-bis(oxidanylidene)-1H-pteridin-8-yl]oxan-4-yl] ethanoate Openeye Name: [5-acetoxy-2-(6-methyl-2-methylsulfanyl-4,7-dioxo-1H-pteridin-8-yl)tetrahydropyran-4-yl] acetate CAS Name: acetic acid [5-acetyloxy-2-[6-methyl-2-(methylthio)-4,7-dioxo-1H-pteridin-8-yl]-4-oxanyl] ester IUPAC Name: [5-acetyloxy-2-(6-methyl-2-methylsulfanyl-4,7-dioxo-1H-pteridin-8-yl)oxan-4-yl] acetate Traditional Name: acetic acid [5-acetoxy-2-[4,7-diketo-6-methyl-2-(methylthio)-1H-pteridin-8-yl]tetrahydropyran-4-yl] ester Formula: C17H20N4O7S MolecularWeight: 424.4283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(NC(=NC2=O)SC)N(C1=O)C3CC(C(CO3)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=NC2=C(NC(=NC2=O)SC)N(C1=O)C3CC(C(CO3)OC(=O)C)OC(=O)C

InChI

InChI=1S/C17H20N4O7S/c1-7-16(25)21(14-13(18-7)15(24)20-17(19-14)29-4)12-5-10(27-8(2)22)11(6-26-12)28-9(3)23/h10-12H,5-6H2,1-4H3,(H,19,20,24)