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

Systemtic Name: 7-(2-ethoxyethyl)-3-methyl-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-3-methyl-8-(2-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-3-methyl-8-(2-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-3-methyl-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-3-methyl-8-(2-naphthylmethylthio)xanthine Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1SCC3=CC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1SCC3=CC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H22N4O3S/c1-3-28-11-10-25-17-18(24(2)20(27)23-19(17)26)22-21(25)29-13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,3,10-11,13H2,1-2H3,(H,23,26,27)