N4-[(3-aminophenyl)methyl]-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[(3-aminophenyl)methyl]-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(3-aminophenyl)methyl]-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(3-aminophenyl)methyl]-N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(3-aminophenyl)methyl]-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: (3-aminobenzyl)-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H15ClN6O2 MolecularWeight: 370.793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)N)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN6O2/c18-12-4-6-14(7-5-12)22-17-21-10-15(24(25)26)16(23-17)20-9-11-2-1-3-13(19)8-11/h1-8,10H,9,19H2,(H2,20,21,22,23)