N-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]-2-pyrrolidin-1-yl-ethanamine

Systemtic Name: N-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]-2-pyrrolidin-1-yl-ethanamine Openeye Name: N-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]-2-pyrrolidin-1-yl-ethanamine CAS Name: N-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]methyl]-2-(1-pyrrolidinyl)ethanamine IUPAC Name: N-[[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]methyl]-2-pyrrolidin-1-ylethanamine Traditional Name: [4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl-(2-pyrrolidinoethyl)amine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CNCCN2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1CNCCN2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-18-22(17-25-12-15-28-13-5-6-14-28)23(20-10-7-11-21(16-20)29(30)31)27-24(26-18)19-8-3-2-4-9-19/h2-4,7-11,16,25H,5-6,12-15,17H2,1H3