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

Systemtic Name: 1-[3-[[6-[(3-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(3-methoxyanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(3-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(3-methoxyanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(m-anisidino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H17N5O4 MolecularWeight: 379.36938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O4/c1-12(25)13-5-3-6-14(9-13)22-18-17(24(26)27)19(21-11-20-18)23-15-7-4-8-16(10-15)28-2/h3-11H,1-2H3,(H2,20,21,22,23)