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

Systemtic Name: N-[4-[[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[(6-cumidino-5-nitro-pyrimidin-4-yl)amino]phenyl]acetamide Formula: C21H22N6O3 MolecularWeight: 406.43778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c1-13(2)15-4-6-17(7-5-15)25-20-19(27(29)30)21(23-12-22-20)26-18-10-8-16(9-11-18)24-14(3)28/h4-13H,1-3H3,(H,24,28)(H2,22,23,25,26)