N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(2,3-dihydrobenzofuran-5-ylmethyl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(2,3-dihydrobenzofuran-5-ylmethyl)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: coumaran-5-ylmethyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C22H23N7O3 MolecularWeight: 433.46312

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C22H23N7O3/c30-29(31)20-21(24-14-16-4-5-18-17(13-16)6-12-32-18)25-15-26-22(20)28-10-8-27(9-11-28)19-3-1-2-7-23-19/h1-5,7,13,15H,6,8-12,14H2,(H,24,25,26)