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

Systemtic Name: 8-butylsulfanyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-butylsulfanyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(butylthio)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-butylsulfanyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(butylthio)-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-4-5-14-27-19-21-17-16(18(25)23(3)20(26)22(17)2)24(19)13-9-12-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3