3,7-dimethyl-1-(3-naphthalen-2-ylsulfanylpropyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(3-naphthalen-2-ylsulfanylpropyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(2-naphthylsulfanyl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(2-naphthalenylthio)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(3-naphthalen-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(2-naphthylthio)propyl]xanthine Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H20N4O2S/c1-22-13-21-18-17(22)19(25)24(20(26)23(18)2)10-5-11-27-16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13H,5,10-11H2,1-2H3