7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-morpholin-4-ylethyl)purine-2,6-dione

Systemtic Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-morpholin-4-ylethyl)purine-2,6-dione Openeye Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione CAS Name: 7-butyl-8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-[2-(4-morpholinyl)ethyl]purine-2,6-dione IUPAC Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-morpholin-4-ylethyl)purine-2,6-dione Traditional Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-morpholinoethyl)xanthine Formula: C21H31N7O3 MolecularWeight: 429.51594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCN4CCOCC4)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCN4CCOCC4)C

InChI

InChI=1S/C21H31N7O3/c1-5-6-7-26-17-18(22-20(26)28-16(3)14-15(2)23-28)24(4)21(30)27(19(17)29)9-8-25-10-12-31-13-11-25/h14H,5-13H2,1-4H3