N-(4-chlorophenyl)-4-[3-[3-(diethylamino)propyl]piperidin-1-yl]-5-nitro-pyrimidin-2-amine

Systemtic Name: N-(4-chlorophenyl)-4-[3-[3-(diethylamino)propyl]piperidin-1-yl]-5-nitro-pyrimidin-2-amine Openeye Name: N-(4-chlorophenyl)-4-[3-[3-(diethylamino)propyl]-1-piperidyl]-5-nitro-pyrimidin-2-amine CAS Name: N-(4-chlorophenyl)-4-[3-[3-(diethylamino)propyl]-1-piperidinyl]-5-nitro-2-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-4-[3-[3-(diethylamino)propyl]piperidin-1-yl]-5-nitropyrimidin-2-amine Traditional Name: 3-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-3-piperidyl]propyl-diethyl-amine Formula: C22H31ClN6O2 MolecularWeight: 446.97354

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC1CCCN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)CCCC1CCCN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H31ClN6O2/c1-3-27(4-2)13-5-7-17-8-6-14-28(16-17)21-20(29(30)31)15-24-22(26-21)25-19-11-9-18(23)10-12-19/h9-12,15,17H,3-8,13-14,16H2,1-2H3,(H,24,25,26)