8-butylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-butylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-butylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(butylthio)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-butylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(butylthio)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

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