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

Systemtic Name: 2-[4-[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[methyl-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C18H24N6O3 MolecularWeight: 372.42156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

InChI

InChI=1S/C18H24N6O3/c1-21(13-15-5-3-2-4-6-15)17-16(24(26)27)18(20-14-19-17)23-9-7-22(8-10-23)11-12-25/h2-6,14,25H,7-13H2,1H3