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

Systemtic Name: 3-methyl-1,7-bis(phenylmethyl)-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-isopropylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-1,7-bis(phenylmethyl)-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-8-(isopropylthio)-3-methyl-xanthine Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

Isomeric SMILES

CC(C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c1-16(2)30-22-24-20-19(26(22)14-17-10-6-4-7-11-17)21(28)27(23(29)25(20)3)15-18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3