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

Systemtic Name: N-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-2-(piperidin-4-ylamino)pyrimidine-4-carboxamide Openeye Name: N-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-2-(4-piperidylamino)pyrimidine-4-carboxamide CAS Name: N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-(4-piperidinylamino)-4-pyrimidinecarboxamide IUPAC Name: N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-(piperidin-4-ylamino)pyrimidine-4-carboxamide Traditional Name: N-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-2-(4-piperidylamino)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)OCCNC(=O)C2=NC(=NC=C2)NC3CCNCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCNC(=O)C2=NC(=NC=C2)NC3CCNCC3

InChI

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