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

Systemtic Name: 7-ethyl-3-methyl-1-(phenylmethyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1-benzyl-7-ethyl-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-ethyl-3-methyl-1-(phenylmethyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1-benzyl-7-ethyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 1-benzyl-7-ethyl-3-methyl-8-piperidino-xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

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