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

Systemtic Name: 2-[4-[6-[(3,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(3,5-dimethylanilino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO)C

InChI

InChI=1S/C18H24N6O3/c1-13-9-14(2)11-15(10-13)21-17-16(24(26)27)18(20-12-19-17)23-5-3-22(4-6-23)7-8-25/h9-12,25H,3-8H2,1-2H3,(H,19,20,21)