7-methyl-3-(phenylmethyl)-8-(2-phenylsulfanylethyl)purine-2,6-dione

Systemtic Name: 7-methyl-3-(phenylmethyl)-8-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-methyl-8-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 7-methyl-3-(phenylmethyl)-8-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-methyl-8-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-methyl-8-[2-(phenylthio)ethyl]xanthine Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CCSC4=CC=CC=C4

Isomeric SMILES

CN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CCSC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-24-17(12-13-28-16-10-6-3-7-11-16)22-19-18(24)20(26)23-21(27)25(19)14-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,23,26,27)