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

Systemtic Name: 1,3-dimethyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-phenylpropylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(3-phenylpropylthio)xanthine Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCC3=CC=CC=C3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCC3=CC=CC=C3)CC=C

InChI

InChI=1S/C19H22N4O2S/c1-4-12-23-15-16(21(2)19(25)22(3)17(15)24)20-18(23)26-13-8-11-14-9-6-5-7-10-14/h4-7,9-10H,1,8,11-13H2,2-3H3