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

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-piperidino-xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H23N5O2/c1-21-16-15(17(25)22(2)19(21)26)24(13-14-9-5-3-6-10-14)18(20-16)23-11-7-4-8-12-23/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3