S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] butanethioate

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] butanethioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] butanethioate CAS Name: butanethioic acid S-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl] ester IUPAC Name: S-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl] butanethioate Traditional Name: butanethioic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C12H16N4O3S MolecularWeight: 296.34544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC(=O)SCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H16N4O3S/c1-4-5-8(17)20-7-16-6-13-10-9(16)11(18)15(3)12(19)14(10)2/h6H,4-5,7H2,1-3H3