2-[4-[6-[(3-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-[(3-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(3-methoxyanilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(3-methoxyanilino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(3-methoxyanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(m-anisidino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C17H22N6O4 MolecularWeight: 374.39438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

InChI

InChI=1S/C17H22N6O4/c1-27-14-4-2-3-13(11-14)20-16-15(23(25)26)17(19-12-18-16)22-7-5-21(6-8-22)9-10-24/h2-4,11-12,24H,5-10H2,1H3,(H,18,19,20)