N-[2-(3-methylphenoxy)ethyl]-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C22H31N5O2/c1-16(2)21-24-18(4)15-20(25-21)26-9-11-27(12-10-26)22(28)23-8-13-29-19-7-5-6-17(3)14-19/h5-7,14-16H,8-13H2,1-4H3,(H,23,28)