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

Systemtic Name: 5-[4-(5-chloranyl-2-nitro-phenoxy)phenyl]-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-[4-(5-chloro-2-nitro-phenoxy)phenyl]-7-isopropyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-[4-(5-chloro-2-nitrophenoxy)phenyl]-7-propan-2-yl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-[4-(5-chloro-2-nitrophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-[4-(5-chloro-2-nitro-phenoxy)phenyl]-7-isopropyl-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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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=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O3/c1-12(2)26-10-16(19-20(23)24-11-25-21(19)26)13-3-6-15(7-4-13)30-18-9-14(22)5-8-17(18)27(28)29/h3-12H,1-2H3,(H2,23,24,25)