2-[ethyl-[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanol

Systemtic Name: 2-[ethyl-[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[ethyl-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]ethanol CAS Name: 2-[ethyl-[6-(2-ethylanilino)-5-nitro-4-pyrimidinyl]amino]ethanol IUPAC Name: 2-[ethyl-[6-(2-ethylanilino)-5-nitropyrimidin-4-yl]amino]ethanol Traditional Name: 2-[ethyl-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]ethanol Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)N(CC)CCO)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)N(CC)CCO)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3/c1-3-12-7-5-6-8-13(12)19-15-14(21(23)24)16(18-11-17-15)20(4-2)9-10-22/h5-8,11,22H,3-4,9-10H2,1-2H3,(H,17,18,19)