3-methyl-8-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-7H-purine-2,6-dione Openeye Name: 3-methyl-8-[(3-methyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-7H-purine-2,6-dione CAS Name: 3-methyl-8-[(3-methyl-2,6-dioxo-7H-purin-8-yl)thio]-7H-purine-2,6-dione IUPAC Name: 3-methyl-8-[(3-methyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-7H-purine-2,6-dione Traditional Name: 8-[(2,6-diketo-3-methyl-7H-purin-8-yl)thio]-3-methyl-7H-purine-2,6-quinone Formula: C12H10N8O4S MolecularWeight: 362.324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)SC3=NC4=C(N3)C(=O)NC(=O)N4C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)SC3=NC4=C(N3)C(=O)NC(=O)N4C

InChI

InChI=1S/C12H10N8O4S/c1-19-5-3(7(21)17-11(19)23)13-9(15-5)25-10-14-4-6(16-10)20(2)12(24)18-8(4)22/h1-2H3,(H,13,15)(H,14,16)(H,17,21,23)(H,18,22,24)