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

Systemtic Name: [4-methyl-6-[(3-nitrophenyl)amino]-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-methyl-6-(3-nitroanilino)-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-methyl-6-(3-nitroanilino)-2-phenyl-5-pyrimidinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-methyl-6-(3-nitroanilino)-2-phenylpyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-methyl-6-(3-nitroanilino)-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazino)methanone Formula: C23H24N6O3 MolecularWeight: 432.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N4CCN(CC4)C

InChI

InChI=1S/C23H24N6O3/c1-16-20(23(30)28-13-11-27(2)12-14-28)22(25-18-9-6-10-19(15-18)29(31)32)26-21(24-16)17-7-4-3-5-8-17/h3-10,15H,11-14H2,1-2H3,(H,24,25,26)