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

Systemtic Name: 3-butyl-7-ethyl-8-[[4-(phenylmethyl)piperidin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzyl-1-piperidyl)methyl]-3-butyl-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[4-(phenylmethyl)-1-piperidinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperidin-1-yl)methyl]-3-butyl-7-ethylpurine-2,6-dione Traditional Name: 8-[(4-benzylpiperidino)methyl]-3-butyl-7-ethyl-xanthine Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CC

InChI

InChI=1S/C24H33N5O2/c1-3-5-13-29-22-21(23(30)26-24(29)31)28(4-2)20(25-22)17-27-14-11-19(12-15-27)16-18-9-7-6-8-10-18/h6-10,19H,3-5,11-17H2,1-2H3,(H,26,30,31)