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

Systemtic Name: 2-[[6-azanyl-2-[(4-methylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[[6-amino-5-nitro-2-(p-tolylmethylamino)pyrimidin-4-yl]amino]ethanol CAS Name: 2-[[6-amino-2-[(4-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[6-amino-2-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]ethanol Traditional Name: 2-[[6-amino-2-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanol Formula: C14H18N6O3 MolecularWeight: 318.33112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

InChI

InChI=1S/C14H18N6O3/c1-9-2-4-10(5-3-9)8-17-14-18-12(15)11(20(22)23)13(19-14)16-6-7-21/h2-5,21H,6-8H2,1H3,(H4,15,16,17,18,19)