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

Systemtic Name: N-(3-methoxypropyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(3-methoxypropyl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(3-methoxypropyl)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(3-methoxypropyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 3-methoxypropyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C17H23N7O3 MolecularWeight: 373.40962

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C17H23N7O3/c1-27-12-4-7-19-16-15(24(25)26)17(21-13-20-16)23-10-8-22(9-11-23)14-5-2-3-6-18-14/h2-3,5-6,13H,4,7-12H2,1H3,(H,19,20,21)