4-[2-(cyanomethyl)-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(cyanomethyl)-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[2-(cyanomethyl)-6-ethyl-5-(m-tolylmethyl)pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[2-(cyanomethyl)-6-ethyl-5-[(3-methylphenyl)methyl]-4-pyrimidinyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(cyanomethyl)-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[2-(cyanomethyl)-6-ethyl-5-(3-methylbenzyl)pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C23H30N6O MolecularWeight: 406.5239

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)N(C)C)CC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)N(C)C)CC3=CC=CC(=C3)C

InChI

InChI=1S/C23H30N6O/c1-5-20-19(16-18-8-6-7-17(2)15-18)22(26-21(25-20)9-10-24)28-11-13-29(14-12-28)23(30)27(3)4/h6-8,15H,5,9,11-14,16H2,1-4H3