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

Systemtic Name: 1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-(2-morpholin-4-ylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(2-methyl-1-piperidyl)methyl]-7-(2-morpholinoethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2-methyl-1-piperidinyl)methyl]-7-[2-(4-morpholinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-(2-morpholin-4-ylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(2-methylpiperidino)methyl]-7-(2-morpholinoethyl)xanthine Formula: C20H32N6O3 MolecularWeight: 404.50648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=NC3=C(N2CCN4CCOCC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCCCN1CC2=NC3=C(N2CCN4CCOCC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H32N6O3/c1-15-6-4-5-7-25(15)14-16-21-18-17(19(27)23(3)20(28)22(18)2)26(16)9-8-24-10-12-29-13-11-24/h15H,4-14H2,1-3H3