3,7-dimethyl-1-[3-(3-phenylpropylsulfanyl)propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-(3-phenylpropylsulfanyl)propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(3-phenylpropylsulfanyl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(3-phenylpropylthio)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(3-phenylpropylsulfanyl)propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(3-phenylpropylthio)propyl]xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCCCC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCCCC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2S/c1-21-14-20-17-16(21)18(24)23(19(25)22(17)2)11-7-13-26-12-6-10-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3