3-methyl-8-methylsulfanyl-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-methylsulfanyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-(methylthio)-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-3-methyl-8-(methylthio)xanthine Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-23-18-17(19(26)25(21(23)27)14-16-11-7-4-8-12-16)24(20(22-18)28-2)13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3