3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-methyl-amino]propanethioamide

Systemtic Name: 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-methyl-amino]propanethioamide Openeye Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methyl-amino]propanethioamide CAS Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methylamino]propanethioamide IUPAC Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methylamino]propanethioamide Traditional Name: 3-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-methyl-amino]thiopropionamide Formula: C11H16N6O2S MolecularWeight: 296.34874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)CCC(=S)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)CCC(=S)N

InChI

InChI=1S/C11H16N6O2S/c1-15(5-4-6(12)20)10-13-7-8(14-10)16(2)11(19)17(3)9(7)18/h4-5H2,1-3H3,(H2,12,20)(H,13,14)