N-[4-[[6-[(4-iodophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-[(4-iodophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(4-iodoanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(4-iodoanilino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C18H15IN6O3 MolecularWeight: 490.25457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15IN6O3/c1-11(26)22-13-6-8-15(9-7-13)24-18-16(25(27)28)17(20-10-21-18)23-14-4-2-12(19)3-5-14/h2-10H,1H3,(H,22,26)(H2,20,21,23,24)