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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC3=CC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC3=CC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C

InChI

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