N-(3-morpholin-4-ylpropyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(3-morpholin-4-ylpropyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(3-morpholinopropyl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[3-(4-morpholinyl)propyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(3-morpholin-4-ylpropyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 3-morpholinopropyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C20H28N8O3 MolecularWeight: 428.48812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H28N8O3/c29-28(30)18-19(22-6-3-7-25-12-14-31-15-13-25)23-16-24-20(18)27-10-8-26(9-11-27)17-4-1-2-5-21-17/h1-2,4-5,16H,3,6-15H2,(H,22,23,24)