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

Systemtic Name: 2-[[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Openeye Name: 2-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol CAS Name: 2-[[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]-ethylamino]ethanol IUPAC Name: 2-[[6-(4-butylanilino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol Traditional Name: 2-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC)CCO)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC)CCO)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O3/c1-3-5-6-14-7-9-15(10-8-14)21-17-16(23(25)26)18(20-13-19-17)22(4-2)11-12-24/h7-10,13,24H,3-6,11-12H2,1-2H3,(H,19,20,21)