1,3-dimethyl-7-[2-[4-(4-methylphenoxy)piperidin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[4-(4-methylphenoxy)piperidin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[4-(4-methylphenoxy)-1-piperidyl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-(4-methylphenoxy)-1-piperidinyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[4-(4-methylphenoxy)piperidin-1-yl]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[4-(4-methylphenoxy)piperidino]ethyl]xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2CCN(CC2)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2CCN(CC2)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

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