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

Systemtic Name: 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C16H21N7O2S MolecularWeight: 375.44864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(N3C)C4CC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(N3C)C4CC4

InChI

InChI=1S/C16H21N7O2S/c1-20-9-17-13-11(20)14(24)23(16(25)22(13)3)7-4-8-26-15-19-18-12(21(15)2)10-5-6-10/h9-10H,4-8H2,1-3H3