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

Systemtic Name: 1,3-dimethyl-8-(3-phenylpropylsulfanyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-phenylpropylsulfanyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-phenylpropylthio)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-phenylpropylsulfanyl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(3-phenylpropylthio)-7H-purine-2,6-quinone Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCCCC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2S/c1-19-13-12(14(21)20(2)16(19)22)17-15(18-13)23-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,17,18)