1-[3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C17H23N7O2S MolecularWeight: 389.47522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NNC(=N3)C4CCCC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NNC(=N3)C4CCCC4

InChI

InChI=1S/C17H23N7O2S/c1-22-10-18-14-12(22)15(25)24(17(26)23(14)2)8-5-9-27-16-19-13(20-21-16)11-6-3-4-7-11/h10-11H,3-9H2,1-2H3,(H,19,20,21)