N4-[(3-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(3-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(3-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(3-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(3-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(3-chlorobenzyl)amine Formula: C11H10ClN5O2 MolecularWeight: 279.6824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClN5O2/c12-8-3-1-2-7(4-8)5-14-11-9(17(18)19)10(13)15-6-16-11/h1-4,6H,5H2,(H3,13,14,15,16)