N-tert-butyl-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-tert-butyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-tert-butylpiperazine-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-tert-butyl-piperazine-1-carboxamide Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N5O/c1-16-19(15-18-9-7-6-8-10-18)20(24-17(2)23-16)26-11-13-27(14-12-26)21(28)25-22(3,4)5/h6-10H,11-15H2,1-5H3,(H,25,28)