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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O3/c1-13-4-3-5-15(14(13)2)21-17-16(24(26)27)18(20-12-19-17)23-8-6-22(7-9-23)10-11-25/h3-5,12,25H,6-11H2,1-2H3,(H,19,20,21)