2-[4-[6-[ethyl-(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-[ethyl-(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(N-ethyl-3-methylanilino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

InChI

InChI=1S/C19H26N6O3/c1-3-24(16-6-4-5-15(2)13-16)19-17(25(27)28)18(20-14-21-19)23-9-7-22(8-10-23)11-12-26/h4-6,13-14,26H,3,7-12H2,1-2H3