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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)OC

InChI

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