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

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] 2-azanylethanethioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] 2-aminoethanethioate CAS Name: 2-aminoethanethioic acid S-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl] ester IUPAC Name: S-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl] 2-aminoethanethioate Traditional Name: 2-aminoethanethioic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C10H13N5O3S MolecularWeight: 283.30692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)CN

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)CN

InChI

InChI=1S/C10H13N5O3S/c1-13-8-7(9(17)14(2)10(13)18)15(4-12-8)5-19-6(16)3-11/h4H,3,5,11H2,1-2H3