N4-cyclopropyl-N2-[3-[methyl(phenyl)amino]propyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-N2-[3-[methyl(phenyl)amino]propyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-N2-[3-(N-methylanilino)propyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-[3-(N-methylanilino)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-[3-(N-methylanilino)propyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 3-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-methyl-phenyl-amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=NC=C(C(=N1)NC2CC2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC1=NC=C(C(=N1)NC2CC2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H22N6O2/c1-22(14-6-3-2-4-7-14)11-5-10-18-17-19-12-15(23(24)25)16(21-17)20-13-8-9-13/h2-4,6-7,12-13H,5,8-11H2,1H3,(H2,18,19,20,21)