1,3,7-trimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(3-phenylpropylthio)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(3-phenylpropylthio)xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H20N4O2S/c1-19-13-14(20(2)17(23)21(3)15(13)22)18-16(19)24-11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3