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

Systemtic Name: 5-[4-(2-nitrophenoxy)phenyl]-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-isopropyl-5-[4-(2-nitrophenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-[4-(2-nitrophenoxy)phenyl]-7-propan-2-yl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-[4-(2-nitrophenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-isopropyl-5-[4-(2-nitrophenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C21H19N5O3 MolecularWeight: 389.40726

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3/c1-13(2)25-11-16(19-20(22)23-12-24-21(19)25)14-7-9-15(10-8-14)29-18-6-4-3-5-17(18)26(27)28/h3-13H,1-2H3,(H2,22,23,24)