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

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] 2-(dimethylamino)ethanethioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] 2-(dimethylamino)ethanethioate CAS Name: 2-(dimethylamino)ethanethioic 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-(dimethylamino)ethanethioate Traditional Name: 2-(dimethylamino)ethanethioic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O3S/c1-14(2)5-8(18)21-7-17-6-13-10-9(17)11(19)16(4)12(20)15(10)3/h6H,5,7H2,1-4H3