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

Systemtic Name: 2-[4-[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[(3-methyl-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-[(3-methylpyridin-2-yl)amino]-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C16H21N7O3 MolecularWeight: 359.38304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7O3/c1-12-3-2-4-17-14(12)20-15-13(23(25)26)16(19-11-18-15)22-7-5-21(6-8-22)9-10-24/h2-4,11,24H,5-10H2,1H3,(H,17,18,19,20)