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

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-benzyl-8-isopropylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-benzyl-8-(isopropylthio)-3-methyl-xanthine Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H18N4O2S/c1-10(2)23-16-17-13-12(14(21)18-15(22)19(13)3)20(16)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,18,21,22)