4-[3-(diethylaminomethyl)phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine

Systemtic Name: 4-[3-(diethylaminomethyl)phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine Openeye Name: 4-[3-(diethylaminomethyl)phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine CAS Name: 4-[3-(diethylaminomethyl)phenyl]-N-(3-nitrophenyl)-2-pyrimidinamine IUPAC Name: 4-[3-(diethylaminomethyl)phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine Traditional Name: diethyl-[3-[2-(3-nitroanilino)pyrimidin-4-yl]benzyl]amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=CC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O2/c1-3-25(4-2)15-16-7-5-8-17(13-16)20-11-12-22-21(24-20)23-18-9-6-10-19(14-18)26(27)28/h5-14H,3-4,15H2,1-2H3,(H,22,23,24)