methyl 4-[4-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[4-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-3-nitro-benzoate Openeye Name: methyl 4-[4-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-3-nitro-benzoate CAS Name: 4-[4-(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)phenoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-3-nitrobenzoate Traditional Name: 4-[4-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-3-nitro-benzoic acid methyl ester Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O5/c1-13(2)27-11-17(20-21(24)25-12-26-22(20)27)14-4-7-16(8-5-14)33-19-9-6-15(23(29)32-3)10-18(19)28(30)31/h4-13H,1-3H3,(H2,24,25,26)