2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl-piperidin-4-yl-amino]pyrimidine-4-carboxamide

Systemtic Name: 2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl-piperidin-4-yl-amino]pyrimidine-4-carboxamide Openeye Name: 2-[2-(2-isopropyl-5-methyl-phenoxy)ethyl-(4-piperidyl)amino]pyrimidine-4-carboxamide CAS Name: 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl-(4-piperidinyl)amino]-4-pyrimidinecarboxamide IUPAC Name: 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl-piperidin-4-ylamino]pyrimidine-4-carboxamide Traditional Name: 2-[2-(2-isopropyl-5-methyl-phenoxy)ethyl-(4-piperidyl)amino]pyrimidine-4-carboxamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCN(C2CCNCC2)C3=NC=CC(=N3)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCN(C2CCNCC2)C3=NC=CC(=N3)C(=O)N

InChI

InChI=1S/C22H31N5O2/c1-15(2)18-5-4-16(3)14-20(18)29-13-12-27(17-6-9-24-10-7-17)22-25-11-8-19(26-22)21(23)28/h4-5,8,11,14-15,17,24H,6-7,9-10,12-13H2,1-3H3,(H2,23,28)