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

Systemtic Name: 1,3-dimethyl-7-[3-(2-phenylpiperidin-1-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-(2-phenyl-1-piperidyl)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(2-phenyl-1-piperidinyl)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(2-phenylpiperidin-1-yl)propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-(2-phenylpiperidino)propyl]xanthine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCCCC3C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCCCC3C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2/c1-23-19-18(20(27)24(2)21(23)28)26(15-22-19)14-8-13-25-12-7-6-11-17(25)16-9-4-3-5-10-16/h3-5,9-10,15,17H,6-8,11-14H2,1-2H3