2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(3-oxidanylpropyl)ethanamide

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(3-oxidanylpropyl)ethanamide Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]-N-(3-hydroxypropyl)acetamide IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]-N-(3-hydroxypropyl)acetamide Formula: C12H17N5O4S MolecularWeight: 327.35948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)NCCCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)NCCCO

InChI

InChI=1S/C12H17N5O4S/c1-16-9-8(10(20)17(2)12(16)21)14-11(15-9)22-6-7(19)13-4-3-5-18/h18H,3-6H2,1-2H3,(H,13,19)(H,14,15)