1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]-3,3-dimethyl-butan-1-one Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/c1-16-20(14-18-6-8-19(9-7-18)28(30)31)22(25-17(2)24-16)27-12-10-26(11-13-27)21(29)15-23(3,4)5/h6-9H,10-15H2,1-5H3