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

Systemtic Name: 2-[2-[[4-azanyl-6-[(3,4-dimethylphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Openeye Name: 2-[2-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol CAS Name: 2-[2-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-2-pyrimidinyl]amino]ethoxy]ethanol IUPAC Name: 2-[2-[[4-amino-6-(3,4-dimethylanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol Traditional Name: 2-[2-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Formula: C16H22N6O4 MolecularWeight: 362.38368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO)C

InChI

InChI=1S/C16H22N6O4/c1-10-3-4-12(9-11(10)2)19-15-13(22(24)25)14(17)20-16(21-15)18-5-7-26-8-6-23/h3-4,9,23H,5-8H2,1-2H3,(H4,17,18,19,20,21)