1-[3-[[6-[ethyl(2-hydroxyethyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-[ethyl(2-hydroxyethyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-[ethyl(2-hydroxyethyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-[ethyl(2-hydroxyethyl)amino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-[ethyl(2-hydroxyethyl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-[ethyl(2-hydroxyethyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4/c1-3-20(7-8-22)16-14(21(24)25)15(17-10-18-16)19-13-6-4-5-12(9-13)11(2)23/h4-6,9-10,22H,3,7-8H2,1-2H3,(H,17,18,19)