3-methyl-7-pentyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-pentyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-pentyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-pentyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-7-pentyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C17H24N6O2 MolecularWeight: 344.41146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H24N6O2/c1-6-7-8-9-22-13-14(21(5)17(25)19-15(13)24)18-16(22)23-12(4)10(2)11(3)20-23/h6-9H2,1-5H3,(H,19,24,25)