3-methyl-8-(3-phenylpropylsulfanyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(3-phenylpropylsulfanyl)-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-(3-phenylpropylsulfanyl)-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-(3-phenylpropylthio)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-(3-phenylpropylsulfanyl)-7-propylpurine-2,6-dione Traditional Name: 3-methyl-8-(3-phenylpropylthio)-7-propyl-xanthine Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H22N4O2S/c1-3-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3,(H,20,23,24)