4-[4-(2-azanylethyl)piperazin-1-yl]-N-(4-chlorophenyl)-5-nitro-pyrimidin-2-amine

Systemtic Name: 4-[4-(2-azanylethyl)piperazin-1-yl]-N-(4-chlorophenyl)-5-nitro-pyrimidin-2-amine Openeye Name: 4-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-chlorophenyl)-5-nitro-pyrimidin-2-amine CAS Name: 4-[4-(2-aminoethyl)-1-piperazinyl]-N-(4-chlorophenyl)-5-nitro-2-pyrimidinamine IUPAC Name: 4-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-chlorophenyl)-5-nitropyrimidin-2-amine Traditional Name: [4-[4-(2-aminoethyl)piperazino]-5-nitro-pyrimidin-2-yl]-(4-chlorophenyl)amine Formula: C16H20ClN7O2 MolecularWeight: 377.8287

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CCN)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H20ClN7O2/c17-12-1-3-13(4-2-12)20-16-19-11-14(24(25)26)15(21-16)23-9-7-22(6-5-18)8-10-23/h1-4,11H,5-10,18H2,(H,19,20,21)