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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC3=CC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC3=CC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H24N4O2S/c1-3-4-7-12-26-18-19(25(2)21(28)24-20(18)27)23-22(26)29-14-15-10-11-16-8-5-6-9-17(16)13-15/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,24,27,28)