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

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-methylpiperidino)-7-p-anisyl-xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O3/c1-14-9-11-25(12-10-14)20-22-18-17(19(27)24(3)21(28)23(18)2)26(20)13-15-5-7-16(29-4)8-6-15/h5-8,14H,9-13H2,1-4H3