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

Systemtic Name: N-[4-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[5-nitro-6-(5-quinolinylamino)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amino]phenyl]acetamide Formula: C21H17N7O3 MolecularWeight: 415.40478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N7O3/c1-13(29)25-14-7-9-15(10-8-14)26-20-19(28(30)31)21(24-12-23-20)27-18-6-2-5-17-16(18)4-3-11-22-17/h2-12H,1H3,(H,25,29)(H2,23,24,26,27)