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

Systemtic Name: 3-methyl-1,7-bis(phenylmethyl)-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 1,7-dibenzyl-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 3-methyl-1,7-bis(phenylmethyl)-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 1,7-dibenzyl-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=S)N2)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=S)N2)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/c1-22-17-16(23(19(27)21-17)12-14-8-4-2-5-9-14)18(25)24(20(22)26)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,21,27)