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

Systemtic Name: 3,7-dimethyl-1-[3-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]purine-2,6-dione Traditional Name: 1-[3-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C15H21N7O3S MolecularWeight: 379.43734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N7O3S/c1-4-6-22-13(24)17-18-14(22)26-8-5-7-21-12(23)10-11(16-9-19(10)2)20(3)15(21)25/h9H,4-8H2,1-3H3,(H,17,24)