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

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] heptanethioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] heptanethioate CAS Name: heptanethioic acid S-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl] ester IUPAC Name: S-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl] heptanethioate Traditional Name: heptanethioic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C15H22N4O3S MolecularWeight: 338.42518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3S/c1-4-5-6-7-8-11(20)23-10-19-9-16-13-12(19)14(21)18(3)15(22)17(13)2/h9H,4-8,10H2,1-3H3