N-(3-ethynylphenyl)-5-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3-ethynylphenyl)-5-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-ethynylphenyl)-5-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(3-ethynylphenyl)-5-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(3-ethynylphenyl)-5-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-ethynylphenyl)-[5-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C20H13N5O2 MolecularWeight: 355.34952

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C(=CN3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C(=CN3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O2/c1-2-13-5-3-7-15(9-13)24-20-18-17(11-21-19(18)22-12-23-20)14-6-4-8-16(10-14)25(26)27/h1,3-12H,(H2,21,22,23,24)