5-nitro-N-(oxolan-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(oxolan-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(2-oxolanylmethyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 5-nitro-N-(oxolan-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C18H23N7O3 MolecularWeight: 385.42032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C18H23N7O3/c26-25(27)16-17(20-12-14-4-3-11-28-14)21-13-22-18(16)24-9-7-23(8-10-24)15-5-1-2-6-19-15/h1-2,5-6,13-14H,3-4,7-12H2,(H,20,21,22)