[4-methyl-6-(3-nitrophenyl)-2-pyridin-4-yl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-methyl-6-(3-nitrophenyl)-2-pyridin-4-yl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-methyl-6-(3-nitrophenyl)-2-(4-pyridyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-methyl-6-(3-nitrophenyl)-2-pyridin-4-yl-5-pyrimidinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-methyl-6-(3-nitrophenyl)-2-pyridin-4-ylpyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-methyl-6-(3-nitrophenyl)-2-(4-pyridyl)pyrimidin-5-yl]-(4-methylpiperazino)methanone Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)N2CCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)N2CCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C22H22N6O3/c1-15-19(22(29)27-12-10-26(2)11-13-27)20(17-4-3-5-18(14-17)28(30)31)25-21(24-15)16-6-8-23-9-7-16/h3-9,14H,10-13H2,1-2H3