1-[3-(1-cyclopropylimidazol-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(1-cyclopropylimidazol-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(1-cyclopropylimidazol-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(1-cyclopropyl-2-imidazolyl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(1-cyclopropylimidazol-2-yl)sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(1-cyclopropylimidazol-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=CN3C4CC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=CN3C4CC4

InChI

InChI=1S/C16H20N6O2S/c1-19-10-18-13-12(19)14(23)22(16(24)20(13)2)7-3-9-25-15-17-6-8-21(15)11-4-5-11/h6,8,10-11H,3-5,7,9H2,1-2H3