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

Systemtic Name: 2-[[6-azanyl-2-[(3,4-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[[6-amino-2-(3,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]ethanol CAS Name: 2-[[6-amino-2-(3,4-dimethylanilino)-5-nitro-4-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[6-amino-2-(3,4-dimethylanilino)-5-nitropyrimidin-4-yl]amino]ethanol Traditional Name: 2-[[6-amino-2-(3,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]ethanol Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N)C

InChI

InChI=1S/C14H18N6O3/c1-8-3-4-10(7-9(8)2)17-14-18-12(15)11(20(22)23)13(19-14)16-5-6-21/h3-4,7,21H,5-6H2,1-2H3,(H4,15,16,17,18,19)