[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[2-methyl-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[2-methyl-6-(4-methylpiperazino)pyrimidin-4-yl]piperazino]-(4-nitrophenyl)methanone Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)C)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)C)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N7O3/c1-16-22-19(25-9-7-24(2)8-10-25)15-20(23-16)26-11-13-27(14-12-26)21(29)17-3-5-18(6-4-17)28(30)31/h3-6,15H,7-14H2,1-2H3