3-(phenylmethyl)-8-sulfanylidene-7,9-dihydropurine-2,6-dione

Systemtic Name: 3-(phenylmethyl)-8-sulfanylidene-7,9-dihydropurine-2,6-dione Openeye Name: 3-benzyl-8-thioxo-7,9-dihydropurine-2,6-dione CAS Name: 3-(phenylmethyl)-8-sulfanylidene-7,9-dihydropurine-2,6-dione IUPAC Name: 3-benzyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione Traditional Name: 3-benzyl-8-thioxo-7,9-dihydropurine-2,6-quinone Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)NC(=S)N3

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)NC(=S)N3

InChI

InChI=1S/C12H10N4O2S/c17-10-8-9(14-11(19)13-8)16(12(18)15-10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14,19)(H,15,17,18)