2-[4-[6-[(4-methylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-[(4-methylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[5-nitro-6-(p-tolylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[(4-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

InChI

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