N-(5-chloranyl-2-methyl-phenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2-methyl-phenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2-methylphenyl)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2-methylphenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2-methyl-phenyl)-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C23H25ClN6O2 MolecularWeight: 452.9366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=C(C=CC(=C4)Cl)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=C(C=CC(=C4)Cl)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H25ClN6O2/c1-15-5-4-6-20(17(15)3)28-9-11-29(12-10-28)23-21(30(31)32)22(25-14-26-23)27-19-13-18(24)8-7-16(19)2/h4-8,13-14H,9-12H2,1-3H3,(H,25,26,27)