4-azanyl-6-bromanyl-7-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-6-bromanyl-7-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-bromo-7-[(E)-cinnamyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-amino-6-bromo-7-[(E)-3-phenylprop-2-enyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-6-bromo-7-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-amino-6-bromo-7-[(E)-cinnamyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C16H12BrN5 MolecularWeight: 354.20398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCN2C3=C(C(=C2Br)C#N)C(=NC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CN2C3=C(C(=C2Br)C#N)C(=NC=N3)N

InChI

InChI=1S/C16H12BrN5/c17-14-12(9-18)13-15(19)20-10-21-16(13)22(14)8-4-7-11-5-2-1-3-6-11/h1-7,10H,8H2,(H2,19,20,21)/b7-4+