2-[4-[6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CCO)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CCO)C=C1

InChI

InChI=1S/C20H22N6O4/c1-14-5-6-15-3-2-4-16(17(15)23-14)30-20-18(26(28)29)19(21-13-22-20)25-9-7-24(8-10-25)11-12-27/h2-6,13,27H,7-12H2,1H3