5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine

Systemtic Name: 5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-(3,4,5-trimethoxybenzyl)amine Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O5/c1-33-20-13-17(14-21(34-2)23(20)35-3)15-26-24-22(30(31)32)25(28-16-27-24)29-11-9-19(10-12-29)18-7-5-4-6-8-18/h4-9,13-14,16H,10-12,15H2,1-3H3,(H,26,27,28)