N-(5-chloranyl-2-methyl-phenyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(5-chloro-2-methyl-phenyl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(5-chloro-2-methylphenyl)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(5-chloro-2-methylphenyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (5-chloro-2-methyl-phenyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C20H20ClN7O2 MolecularWeight: 425.8715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H20ClN7O2/c1-14-5-6-15(21)12-16(14)25-19-18(28(29)30)20(24-13-23-19)27-10-8-26(9-11-27)17-4-2-3-7-22-17/h2-7,12-13H,8-11H2,1H3,(H,23,24,25)