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

Systemtic Name: 5-[4-[(4-methylphenyl)methylamino]-3-nitro-phenyl]pyrimidin-2-amine Openeye Name: 5-[3-nitro-4-(p-tolylmethylamino)phenyl]pyrimidin-2-amine CAS Name: 5-[4-[(4-methylphenyl)methylamino]-3-nitrophenyl]-2-pyrimidinamine IUPAC Name: 5-[4-[(4-methylphenyl)methylamino]-3-nitrophenyl]pyrimidin-2-amine Traditional Name: [4-(2-aminopyrimidin-5-yl)-2-nitro-phenyl]-(4-methylbenzyl)amine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=CN=C(N=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=CN=C(N=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2/c1-12-2-4-13(5-3-12)9-20-16-7-6-14(8-17(16)23(24)25)15-10-21-18(19)22-11-15/h2-8,10-11,20H,9H2,1H3,(H2,19,21,22)