N-[4-[[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-[(2-chloro-3-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-[(2-chloropyridin-3-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C17H14ClN7O3 MolecularWeight: 399.79116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN7O3/c1-10(26)22-11-4-6-12(7-5-11)23-16-14(25(27)28)17(21-9-20-16)24-13-3-2-8-19-15(13)18/h2-9H,1H3,(H,22,26)(H2,20,21,23,24)