7-ethyl-3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-7-ethyl-3-methyl-xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

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