8-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-(2-imidazo[1,2-a]pyrimidinylmethylthio)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(imidazo[1,2-a]pyrimidin-2-ylmethylthio)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C14H13N7O2S MolecularWeight: 343.36372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CN4C=CC=NC4=N3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CN4C=CC=NC4=N3

InChI

InChI=1S/C14H13N7O2S/c1-19-10-9(11(22)20(2)14(19)23)17-13(18-10)24-7-8-6-21-5-3-4-15-12(21)16-8/h3-6H,7H2,1-2H3,(H,17,18)