N-[(2-nitrophenyl)methyl]-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine

Systemtic Name: N-[(2-nitrophenyl)methyl]-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine Openeye Name: N-[(2-nitrophenyl)methyl]-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine CAS Name: N-[(2-nitrophenyl)methyl]-4-[(3S)-3-phenyl-4-morpholinyl]-2-pyrimidinamine IUPAC Name: N-[(2-nitrophenyl)methyl]-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine Traditional Name: (2-nitrobenzyl)-[4-[(3S)-3-phenylmorpholino]pyrimidin-2-yl]amine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC(N1C2=NC(=NC=C2)NCC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1COC[C@@H](N1C2=NC(=NC=C2)NCC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c27-26(28)18-9-5-4-8-17(18)14-23-21-22-11-10-20(24-21)25-12-13-29-15-19(25)16-6-2-1-3-7-16/h1-11,19H,12-15H2,(H,22,23,24)/t19-/m1/s1