6-morpholin-4-yl-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine

Systemtic Name: 6-morpholin-4-yl-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Openeye Name: 6-morpholino-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine CAS Name: 6-(4-morpholinyl)-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]-4-pyrimidinamine IUPAC Name: 6-morpholin-4-yl-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Traditional Name: (6-morpholino-5-nitro-pyrimidin-4-yl)-(3,4,5-trimethoxybenzyl)amine Formula: C18H23N5O6 MolecularWeight: 405.40512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H23N5O6/c1-26-13-8-12(9-14(27-2)16(13)28-3)10-19-17-15(23(24)25)18(21-11-20-17)22-4-6-29-7-5-22/h8-9,11H,4-7,10H2,1-3H3,(H,19,20,21)