7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-phenethyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-phenethyl-purine-2,6-dione Openeye Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-phenethyl-purine-2,6-dione CAS Name: 7-butyl-8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-phenethylpurine-2,6-dione IUPAC Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-phenethylpurine-2,6-dione Traditional Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-phenethyl-xanthine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C23H28N6O2/c1-5-6-13-27-19-20(24-22(27)29-17(3)15-16(2)25-29)26(4)23(31)28(21(19)30)14-12-18-10-8-7-9-11-18/h7-11,15H,5-6,12-14H2,1-4H3