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

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] hexanethioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] hexanethioate CAS Name: hexanethioic acid S-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl] ester IUPAC Name: S-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl] hexanethioate Traditional Name: hexanethioic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3S/c1-4-5-6-7-10(19)22-9-18-8-15-12-11(18)13(20)17(3)14(21)16(12)2/h8H,4-7,9H2,1-3H3