2-[[6-[bis(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol

Systemtic Name: 2-[[6-[bis(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Openeye Name: 2-[[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol CAS Name: 2-[[6-[bis(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]-ethylamino]ethanol IUPAC Name: 2-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol Traditional Name: 2-[[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=NC=NC(=C1[N+](=O)[O-])N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CCO)C1=NC=NC(=C1[N+](=O)[O-])N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O3/c1-2-25(13-14-28)21-20(27(29)30)22(24-17-23-21)26(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17,28H,2,13-16H2,1H3