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

Systemtic Name: 2-[4-[6-[bis(2-methylpropyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(diisobutylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[bis(2-methylpropyl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-[bis(2-methylpropyl)amino]-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(diisobutylamino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C18H32N6O3 MolecularWeight: 380.48508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CCO

Isomeric SMILES

CC(C)CN(CC(C)C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CCO

InChI

InChI=1S/C18H32N6O3/c1-14(2)11-23(12-15(3)4)18-16(24(26)27)17(19-13-20-18)22-7-5-21(6-8-22)9-10-25/h13-15,25H,5-12H2,1-4H3