3-methyl-7-(2-methylprop-2-enyl)-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-(1-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(1-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(1-naphthylmethylthio)xanthine Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC3=CC=CC4=CC=CC=C43)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC3=CC=CC4=CC=CC=C43)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H20N4O2S/c1-13(2)11-25-17-18(24(3)20(27)23-19(17)26)22-21(25)28-12-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,1,11-12H2,2-3H3,(H,23,26,27)