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

Systemtic Name: 2-[4-[6-[(2-methoxy-5-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(2-methoxy-5-methylanilino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(2-methoxy-5-methylanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C18H24N6O4 MolecularWeight: 388.42096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

InChI

InChI=1S/C18H24N6O4/c1-13-3-4-15(28-2)14(11-13)21-17-16(24(26)27)18(20-12-19-17)23-7-5-22(6-8-23)9-10-25/h3-4,11-12,25H,5-10H2,1-2H3,(H,19,20,21)