5-nitro-6-piperidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine

Systemtic Name: 5-nitro-6-piperidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(1-piperidyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(1-piperidinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-piperidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Traditional Name: (5-nitro-6-piperidino-pyrimidin-4-yl)-(3,4,5-trimethoxybenzyl)amine Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C19H25N5O5/c1-27-14-9-13(10-15(28-2)17(14)29-3)11-20-18-16(24(25)26)19(22-12-21-18)23-7-5-4-6-8-23/h9-10,12H,4-8,11H2,1-3H3,(H,20,21,22)