1,3-dimethyl-8-(thiophen-3-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(thiophen-3-ylmethyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-thienylmethyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-thiophenylmethyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(thiophen-3-ylmethyl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(3-thenyl)-7H-purine-2,6-quinone Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CSC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CSC=C3

InChI

InChI=1S/C12H12N4O2S/c1-15-10-9(11(17)16(2)12(15)18)13-8(14-10)5-7-3-4-19-6-7/h3-4,6H,5H2,1-2H3,(H,13,14)