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

Systemtic Name: N-(2-morpholin-4-ylethyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(2-morpholinoethyl)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(4-morpholinyl)ethyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(2-morpholinoethyl)amine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O3/c29-28(30)20-21(23-8-11-26-12-14-31-15-13-26)24-17-25-22(20)27-9-6-19(7-10-27)16-18-4-2-1-3-5-18/h1-5,17,19H,6-16H2,(H,23,24,25)