4-[2-azanyl-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-N-octyl-piperidine-1-carboxamide

Systemtic Name: 4-[2-azanyl-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-N-octyl-piperidine-1-carboxamide Openeye Name: 4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-N-octyl-piperidine-1-carboxamide CAS Name: 4-[2-amino-6-[(4-methoxyphenyl)methyl]-4-pyrimidinyl]-N-octyl-1-piperidinecarboxamide IUPAC Name: 4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-N-octylpiperidine-1-carboxamide Traditional Name: 4-(2-amino-6-p-anisyl-pyrimidin-4-yl)-N-octyl-piperidine-1-carboxamide Formula: C26H39N5O2 MolecularWeight: 453.62016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)N1CCC(CC1)C2=CC(=NC(=N2)N)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCCNC(=O)N1CCC(CC1)C2=CC(=NC(=N2)N)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H39N5O2/c1-3-4-5-6-7-8-15-28-26(32)31-16-13-21(14-17-31)24-19-22(29-25(27)30-24)18-20-9-11-23(33-2)12-10-20/h9-12,19,21H,3-8,13-18H2,1-2H3,(H,28,32)(H2,27,29,30)