1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylallyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(3-phenylpropylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylallyl)-8-(3-phenylpropylthio)xanthine Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H24N4O2S/c1-14(2)13-24-16-17(22(3)20(26)23(4)18(16)25)21-19(24)27-12-8-11-15-9-6-5-7-10-15/h5-7,9-10H,1,8,11-13H2,2-4H3