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

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]butan-1-one Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H27N5O3/c1-4-5-20(27)24-10-12-25(13-11-24)21-19(15(2)22-16(3)23-21)14-17-6-8-18(9-7-17)26(28)29/h6-9H,4-5,10-14H2,1-3H3