5-[4-(3-methoxy-4-nitro-phenoxy)phenyl]-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-[4-(3-methoxy-4-nitro-phenoxy)phenyl]-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-isopropyl-5-[4-(3-methoxy-4-nitro-phenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-[4-(3-methoxy-4-nitrophenoxy)phenyl]-7-propan-2-yl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-[4-(3-methoxy-4-nitrophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-isopropyl-5-[4-(3-methoxy-4-nitro-phenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4/c1-13(2)26-11-17(20-21(23)24-12-25-22(20)26)14-4-6-15(7-5-14)31-16-8-9-18(27(28)29)19(10-16)30-3/h4-13H,1-3H3,(H2,23,24,25)