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

Systemtic Name: 2-[4-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C26H48N6O3 MolecularWeight: 492.69772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CCO

InChI

InChI=1S/C26H48N6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-25-24(32(34)35)26(29-23-28-25)31-19-17-30(18-20-31)21-22-33/h23,33H,2-22H2,1H3,(H,27,28,29)