N-[2-[4-(2-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-5-nitro-phenyl]ethanamide

Systemtic Name: N-[2-[4-(2-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-5-nitro-phenyl]ethanamide Openeye Name: N-[2-[4-(2-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-5-nitro-phenyl]acetamide CAS Name: N-[2-[4-(2-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)phenoxy]-5-nitrophenyl]acetamide IUPAC Name: N-[2-[4-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-5-nitrophenyl]acetamide Traditional Name: N-[2-[4-(2-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-5-nitro-phenyl]acetamide Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=CN=C(N=C21)N)C3=CC=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC(C)N1C=C(C2=CN=C(N=C21)N)C3=CC=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C23H22N6O4/c1-13(2)28-12-19(18-11-25-23(24)27-22(18)28)15-4-7-17(8-5-15)33-21-9-6-16(29(31)32)10-20(21)26-14(3)30/h4-13H,1-3H3,(H,26,30)(H2,24,25,27)