1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-8-(4-methylpiperidino)xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC(C4=CC=CC=C4)O)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC(C4=CC=CC=C4)O)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O3/c1-14-9-11-25(12-10-14)20-22-18-17(19(28)24(3)21(29)23(18)2)26(20)13-16(27)15-7-5-4-6-8-15/h4-8,14,16,27H,9-13H2,1-3H3