6-bromanyl-4-(methylamino)-7-phenethyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 6-bromanyl-4-(methylamino)-7-phenethyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 6-bromo-4-(methylamino)-7-phenethyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 6-bromo-4-(methylamino)-7-phenethyl-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 6-bromo-4-(methylamino)-7-phenethylpyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 6-bromo-4-(methylamino)-7-phenethyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C16H14BrN5 MolecularWeight: 356.21986

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1C(=C(N2CCC3=CC=CC=C3)Br)C#N

Isomeric SMILES

CNC1=NC=NC2=C1C(=C(N2CCC3=CC=CC=C3)Br)C#N

InChI

InChI=1S/C16H14BrN5/c1-19-15-13-12(9-18)14(17)22(16(13)21-10-20-15)8-7-11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,19,20,21)