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

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC3=CC=CC=C3

InChI

InChI=1S/C13H12N4O2S/c1-16-10-9(11(18)15-12(16)19)17(13(20)14-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,20)(H,15,18,19)