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

Systemtic Name: 3-methyl-1,7-bis(phenylmethyl)-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-1,7-dibenzyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-1,7-bis(phenylmethyl)-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-1,7-dibenzyl-3-methyl-xanthine Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O2S/c1-3-14-30-22-24-20-19(26(22)15-17-10-6-4-7-11-17)21(28)27(23(29)25(20)2)16-18-12-8-5-9-13-18/h3-13H,1,14-16H2,2H3