2-[[6-azanyl-2-[methyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanol

Systemtic Name: 2-[[6-azanyl-2-[methyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[[6-amino-2-(N-methylanilino)-5-nitro-pyrimidin-4-yl]amino]ethanol CAS Name: 2-[[6-amino-2-(N-methylanilino)-5-nitro-4-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[6-amino-2-(N-methylanilino)-5-nitropyrimidin-4-yl]amino]ethanol Traditional Name: 2-[[6-amino-2-(N-methylanilino)-5-nitro-pyrimidin-4-yl]amino]ethanol Formula: C13H16N6O3 MolecularWeight: 304.30454

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

InChI

InChI=1S/C13H16N6O3/c1-18(9-5-3-2-4-6-9)13-16-11(14)10(19(21)22)12(17-13)15-7-8-20/h2-6,20H,7-8H2,1H3,(H3,14,15,16,17)