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

Systemtic Name: 1,3-dimethyl-8-(naphthalen-1-ylmethylsulfanyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-(1-naphthylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1-naphthalenylmethylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(naphthalen-1-ylmethylsulfanyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(1-naphthylmethylthio)xanthine Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC4=CC=CC=C43)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC4=CC=CC=C43)CC=C

InChI

InChI=1S/C21H20N4O2S/c1-4-12-25-17-18(23(2)21(27)24(3)19(17)26)22-20(25)28-13-15-10-7-9-14-8-5-6-11-16(14)15/h4-11H,1,12-13H2,2-3H3