N2-(4-chlorophenyl)-5-nitro-N4-[3-(propan-2-ylamino)propyl]pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-5-nitro-N4-[3-(propan-2-ylamino)propyl]pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-[3-(isopropylamino)propyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-5-nitro-N4-[3-(propan-2-ylamino)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-5-nitro-4-N-[3-(propan-2-ylamino)propyl]pyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-[3-(isopropylamino)propyl]amine Formula: C16H21ClN6O2 MolecularWeight: 364.82994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)NCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN6O2/c1-11(2)18-8-3-9-19-15-14(23(24)25)10-20-16(22-15)21-13-6-4-12(17)5-7-13/h4-7,10-11,18H,3,8-9H2,1-2H3,(H2,19,20,21,22)