N4-(3-azanyl-2,2-dimethyl-propyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-(3-azanyl-2,2-dimethyl-propyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(3-amino-2,2-dimethyl-propyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(3-amino-2,2-dimethylpropyl)-N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(3-amino-2,2-dimethylpropyl)-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: (3-amino-2,2-dimethyl-propyl)-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H19ClN6O2 MolecularWeight: 350.80336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(CN)CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H19ClN6O2/c1-15(2,8-17)9-19-13-12(22(23)24)7-18-14(21-13)20-11-5-3-10(16)4-6-11/h3-7H,8-9,17H2,1-2H3,(H2,18,19,20,21)