1,3,7-trimethyl-8-[phenyl(piperidin-1-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[phenyl(piperidin-1-yl)methyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[phenyl(1-piperidyl)methyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[phenyl(1-piperidinyl)methyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[phenyl(piperidin-1-yl)methyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[phenyl(piperidino)methyl]xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C(C3=CC=CC=C3)N4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C(C3=CC=CC=C3)N4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H25N5O2/c1-22-16-18(23(2)20(27)24(3)19(16)26)21-17(22)15(14-10-6-4-7-11-14)25-12-8-5-9-13-25/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3