3,7-dimethyl-1-(phenylmethyl)-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC1=S)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(NC1=S)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C14H14N4O2S/c1-16-10-11(15-13(16)21)17(2)14(20)18(12(10)19)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,21)