4-azanyl-6-bromanyl-7-[2-(4-nitrophenyl)ethyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-6-bromanyl-7-[2-(4-nitrophenyl)ethyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-bromo-7-[2-(4-nitrophenyl)ethyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-amino-6-bromo-7-[2-(4-nitrophenyl)ethyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-6-bromo-7-[2-(4-nitrophenyl)ethyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-amino-6-bromo-7-[2-(4-nitrophenyl)ethyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C15H11BrN6O2 MolecularWeight: 387.19084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN2C3=C(C(=C2Br)C#N)C(=NC=N3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCN2C3=C(C(=C2Br)C#N)C(=NC=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H11BrN6O2/c16-13-11(7-17)12-14(18)19-8-20-15(12)21(13)6-5-9-1-3-10(4-2-9)22(23)24/h1-4,8H,5-6H2,(H2,18,19,20)