5-[4-[(4-chlorophenyl)methylamino]-3-nitro-phenyl]pyrimidin-2-amine

Systemtic Name: 5-[4-[(4-chlorophenyl)methylamino]-3-nitro-phenyl]pyrimidin-2-amine Openeye Name: 5-[4-[(4-chlorophenyl)methylamino]-3-nitro-phenyl]pyrimidin-2-amine CAS Name: 5-[4-[(4-chlorophenyl)methylamino]-3-nitrophenyl]-2-pyrimidinamine IUPAC Name: 5-[4-[(4-chlorophenyl)methylamino]-3-nitrophenyl]pyrimidin-2-amine Traditional Name: [4-(2-aminopyrimidin-5-yl)-2-nitro-phenyl]-(4-chlorobenzyl)amine Formula: C17H14ClN5O2 MolecularWeight: 355.77836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C=C2)C3=CN=C(N=C3)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2)C3=CN=C(N=C3)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN5O2/c18-14-4-1-11(2-5-14)8-20-15-6-3-12(7-16(15)23(24)25)13-9-21-17(19)22-10-13/h1-7,9-10,20H,8H2,(H2,19,21,22)