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

Systemtic Name: 1,3-dimethyl-7-[2-(2-phenylpiperidin-1-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(2-phenyl-1-piperidyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(2-phenyl-1-piperidinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(2-phenylpiperidin-1-yl)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(2-phenylpiperidino)ethyl]xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCCCC3C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCCCC3C4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2/c1-22-18-17(19(26)23(2)20(22)27)25(14-21-18)13-12-24-11-7-6-10-16(24)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3