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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

InChI

InChI=1S/C21H31N7O3/c1-13(2)27-17-18(22-20(27)28-16(5)14(3)15(4)23-28)24(6)21(30)26(19(17)29)8-7-25-9-11-31-12-10-25/h13H,7-12H2,1-6H3