7-(2-ethoxyethyl)-3-methyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-3-methyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-3-methyl-8-(1-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-3-methyl-8-(1-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-3-methyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-3-methyl-8-(1-naphthylmethylthio)xanthine Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1SCC3=CC=CC4=CC=CC=C43)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1SCC3=CC=CC4=CC=CC=C43)N(C(=O)NC2=O)C

InChI

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