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

Systemtic Name: 3,7-dimethyl-1-[3-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]purine-2,6-dione Openeye Name: 1-[3-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]purine-2,6-dione Traditional Name: 1-[3-[(4-isopropyl-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C15H21N7O2S MolecularWeight: 363.43794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC(C)N1C=NN=C1SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C15H21N7O2S/c1-10(2)22-9-17-18-14(22)25-7-5-6-21-13(23)11-12(16-8-19(11)3)20(4)15(21)24/h8-10H,5-7H2,1-4H3