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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O3/c1-8-2-4-9(5-3-8)16-13-17-11(14)10(19(21)22)12(18-13)15-6-7-20/h2-5,20H,6-7H2,1H3,(H4,14,15,16,17,18)