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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC3=CC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC3=CC4=CC=CC=C4C=C3)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)28-12-14-8-9-15-6-4-5-7-16(15)10-14/h4-10H,1,11-12H2,2-3H3,(H,23,26,27)