2-(3-morpholin-4-ylpropyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: 2-(3-morpholin-4-ylpropyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-2-(3-morpholinopropyl)-5-nitro-pyrimidin-4-amine CAS Name: 2-[3-(4-morpholinyl)propyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-2-(3-morpholinopropyl)-5-nitro-pyrimidin-4-yl]amine Formula: C23H32N6O3 MolecularWeight: 440.53858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)CCCN4CCOCC4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)CCCN4CCOCC4)N)[N+](=O)[O-]

InChI

InChI=1S/C23H32N6O3/c24-22-21(29(30)31)23(26-20(25-22)7-4-10-27-13-15-32-16-14-27)28-11-8-19(9-12-28)17-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2,(H2,24,25,26)