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

Systemtic Name: 3,7-dimethyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-3,7-dimethyl-xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

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