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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(1-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(1-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(1-naphthylmethylthio)xanthine Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC3=CC=CC4=CC=CC=C43)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC3=CC=CC4=CC=CC=C43)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H24N4O2S/c1-14(2)11-12-26-18-19(25(3)21(28)24-20(18)27)23-22(26)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14H,11-13H2,1-3H3,(H,24,27,28)