1,3-dimethyl-7-(3-phenylpropyl)-8-propylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-phenylpropyl)-8-propylsulfanyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(3-phenylpropyl)-8-propylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-phenylpropyl)-8-(propylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-phenylpropyl)-8-propylsulfanylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-phenylpropyl)-8-(propylthio)xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H24N4O2S/c1-4-13-26-18-20-16-15(17(24)22(3)19(25)21(16)2)23(18)12-8-11-14-9-6-5-7-10-14/h5-7,9-10H,4,8,11-13H2,1-3H3