1,3-dimethyl-8-(2-methylprop-2-enylsulfanyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-methylprop-2-enylsulfanyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(2-methylallylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2-methylprop-2-enylthio)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(2-methylallylthio)xanthine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=C)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H20N4O2S/c1-12(2)11-25-17-19-15-14(16(23)21(4)18(24)20(15)3)22(17)10-13-8-6-5-7-9-13/h5-9H,1,10-11H2,2-4H3