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

Systemtic Name: N-tert-butyl-4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C22H30N6O3 MolecularWeight: 426.512

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)(C)C)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O3/c1-15-19(14-17-6-8-18(9-7-17)28(30)31)20(24-16(2)23-15)26-10-12-27(13-11-26)21(29)25-22(3,4)5/h6-9H,10-14H2,1-5H3,(H,25,29)