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

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-isopentyl-1,3-dimethyl-8-(2-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(2-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-isoamyl-1,3-dimethyl-8-(2-naphthylmethylthio)xanthine Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC3=CC4=CC=CC=C4C=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC3=CC4=CC=CC=C4C=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H26N4O2S/c1-15(2)11-12-27-19-20(25(3)23(29)26(4)21(19)28)24-22(27)30-14-16-9-10-17-7-5-6-8-18(17)13-16/h5-10,13,15H,11-12,14H2,1-4H3