3-(phenylmethyl)-8-(phenylmethylsulfanyl)-7H-purine-2,6-dione

Systemtic Name: 3-(phenylmethyl)-8-(phenylmethylsulfanyl)-7H-purine-2,6-dione Openeye Name: 3-benzyl-8-benzylsulfanyl-7H-purine-2,6-dione CAS Name: 3-(phenylmethyl)-8-(phenylmethylthio)-7H-purine-2,6-dione IUPAC Name: 3-benzyl-8-benzylsulfanyl-7H-purine-2,6-dione Traditional Name: 3-benzyl-8-(benzylthio)-7H-purine-2,6-quinone Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)NC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)NC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C19H16N4O2S/c24-17-15-16(21-18(20-15)26-12-14-9-5-2-6-10-14)23(19(25)22-17)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,20,21)(H,22,24,25)