N2-(4-chlorophenyl)-5-nitro-N4-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-5-nitro-N4-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-5-nitro-N4-[3-(1-piperidyl)propyl]pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-5-nitro-N4-[3-(1-piperidinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-5-nitro-4-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(3-piperidinopropyl)amine Formula: C18H23ClN6O2 MolecularWeight: 390.86722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)CCCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H23ClN6O2/c19-14-5-7-15(8-6-14)22-18-21-13-16(25(26)27)17(23-18)20-9-4-12-24-10-2-1-3-11-24/h5-8,13H,1-4,9-12H2,(H2,20,21,22,23)