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

Systemtic Name: 7-hexyl-1,3-dimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-hexyl-1,3-dimethyl-8-(1-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 7-hexyl-1,3-dimethyl-8-(1-naphthalenylmethylthio)purine-2,6-dione IUPAC Name: 7-hexyl-1,3-dimethyl-8-(naphthalen-1-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-hexyl-1,3-dimethyl-8-(1-naphthylmethylthio)xanthine Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC3=CC=CC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC3=CC=CC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C24H28N4O2S/c1-4-5-6-9-15-28-20-21(26(2)24(30)27(3)22(20)29)25-23(28)31-16-18-13-10-12-17-11-7-8-14-19(17)18/h7-8,10-14H,4-6,9,15-16H2,1-3H3