1,3,9-trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-(1-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-(1-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 1,3,9-trimethyl-8-(1-naphthylmethylthio)xanthine Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C19H18N4O2S/c1-21-16-15(17(24)23(3)19(25)22(16)2)20-18(21)26-11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,11H2,1-3H3