4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide

Systemtic Name: 4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Openeye Name: 4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: 4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-N-ethyl-1-piperazinecarboxamide IUPAC Name: 4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[5-(4-chlorobenzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NCC)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NCC)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN5O/c1-4-19-18(14-16-6-8-17(22)9-7-16)20(25-15(3)24-19)26-10-12-27(13-11-26)21(28)23-5-2/h6-9H,4-5,10-14H2,1-3H3,(H,23,28)