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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H24N6O2/c1-7-8-9-22-13-14(20(5)17(25)21(6)15(13)24)18-16(22)23-12(4)10(2)11(3)19-23/h7-9H2,1-6H3