5-[3-nitro-4-[(phenylmethyl)amino]phenyl]pyrimidin-2-amine

Systemtic Name: 5-[3-nitro-4-[(phenylmethyl)amino]phenyl]pyrimidin-2-amine Openeye Name: 5-[4-(benzylamino)-3-nitro-phenyl]pyrimidin-2-amine CAS Name: 5-[3-nitro-4-[(phenylmethyl)amino]phenyl]-2-pyrimidinamine IUPAC Name: 5-[4-(benzylamino)-3-nitrophenyl]pyrimidin-2-amine Traditional Name: [4-(2-aminopyrimidin-5-yl)-2-nitro-phenyl]-benzyl-amine Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=CN=C(N=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=CN=C(N=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O2/c18-17-20-10-14(11-21-17)13-6-7-15(16(8-13)22(23)24)19-9-12-4-2-1-3-5-12/h1-8,10-11,19H,9H2,(H2,18,20,21)