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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(2-morpholin-4-ylethyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(2-morpholinoethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3,7-dimethyl-1-[2-(4-morpholinyl)ethyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(2-morpholin-4-ylethyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(2-morpholinoethyl)xanthine Formula: C18H25N7O3 MolecularWeight: 387.4362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

InChI

InChI=1S/C18H25N7O3/c1-12-11-13(2)25(20-12)17-19-15-14(21(17)3)16(26)24(18(27)22(15)4)6-5-23-7-9-28-10-8-23/h11H,5-10H2,1-4H3