8-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione

Systemtic Name: 8-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione Openeye Name: 8-[[(2R)-2-ethyl-1-piperidyl]methyl]-1,3-dimethyl-7-(2-morpholinoethyl)purine-2,6-dione CAS Name: 8-[[(2R)-2-ethyl-1-piperidinyl]methyl]-1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]purine-2,6-dione IUPAC Name: 8-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione Traditional Name: 8-[[(2R)-2-ethylpiperidino]methyl]-1,3-dimethyl-7-(2-morpholinoethyl)xanthine Formula: C21H34N6O3 MolecularWeight: 418.53306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=NC3=C(N2CCN4CCOCC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[C@@H]1CCCCN1CC2=NC3=C(N2CCN4CCOCC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H34N6O3/c1-4-16-7-5-6-8-26(16)15-17-22-19-18(20(28)24(3)21(29)23(19)2)27(17)10-9-25-11-13-30-14-12-25/h16H,4-15H2,1-3H3/t16-/m1/s1