6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-(2,4-dichlorophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2,4-dichlorophenyl)amine Formula: C20H17Cl3N6O2 MolecularWeight: 479.74698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17Cl3N6O2/c21-13-2-1-3-15(10-13)27-6-8-28(9-7-27)20-18(29(30)31)19(24-12-25-20)26-17-5-4-14(22)11-16(17)23/h1-5,10-12H,6-9H2,(H,24,25,26)