N-(3-nitrophenyl)-4-[3-[[(phenylmethyl)amino]methyl]phenyl]pyrimidin-2-amine

Systemtic Name: N-(3-nitrophenyl)-4-[3-[[(phenylmethyl)amino]methyl]phenyl]pyrimidin-2-amine Openeye Name: 4-[3-[(benzylamino)methyl]phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine CAS Name: N-(3-nitrophenyl)-4-[3-[[(phenylmethyl)amino]methyl]phenyl]-2-pyrimidinamine IUPAC Name: 4-[3-[(benzylamino)methyl]phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine Traditional Name: benzyl-[3-[2-(3-nitroanilino)pyrimidin-4-yl]benzyl]amine Formula: C24H21N5O2 MolecularWeight: 411.45584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O2/c30-29(31)22-11-5-10-21(15-22)27-24-26-13-12-23(28-24)20-9-4-8-19(14-20)17-25-16-18-6-2-1-3-7-18/h1-15,25H,16-17H2,(H,26,27,28)