4-azanyl-6-bromanyl-7-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-6-bromanyl-7-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-bromo-7-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-amino-6-bromo-7-[[4-(trifluoromethyl)phenyl]methyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-6-bromo-7-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-amino-6-bromo-7-[4-(trifluoromethyl)benzyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C15H9BrF3N5 MolecularWeight: 396.16467

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C3=C(C(=C2Br)C#N)C(=NC=N3)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CN2C3=C(C(=C2Br)C#N)C(=NC=N3)N)C(F)(F)F

InChI

InChI=1S/C15H9BrF3N5/c16-12-10(5-20)11-13(21)22-7-23-14(11)24(12)6-8-1-3-9(4-2-8)15(17,18)19/h1-4,7H,6H2,(H2,21,22,23)