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

Systemtic Name: 3,7-dimethyl-1-[3-(1-propylimidazol-2-yl)sulfanylpropyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(1-propylimidazol-2-yl)sulfanylpropyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(1-propyl-2-imidazolyl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(1-propylimidazol-2-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[(1-propylimidazol-2-yl)thio]propyl]xanthine Formula: C16H22N6O2S MolecularWeight: 362.44988

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCCN1C=CN=C1SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C16H22N6O2S/c1-4-7-21-9-6-17-15(21)25-10-5-8-22-14(23)12-13(18-11-19(12)2)20(3)16(22)24/h6,9,11H,4-5,7-8,10H2,1-3H3