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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC)C(=O)N(C(=O)N3C)CCN4CCOCC4)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC)C(=O)N(C(=O)N3C)CCN4CCOCC4)CC

InChI

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