1,3-dimethyl-7-(3-phenoxypropyl)-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-phenoxypropyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(3-phenoxypropyl)-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-phenoxypropyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-phenoxypropyl)-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-phenoxypropyl)-8-piperidino-xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCCOC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O3/c1-23-18-17(19(27)24(2)21(23)28)26(20(22-18)25-12-7-4-8-13-25)14-9-15-29-16-10-5-3-6-11-16/h3,5-6,10-11H,4,7-9,12-15H2,1-2H3