4-(4-azanyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-2-chloranyl-benzenecarbonitrile

Systemtic Name: 4-(4-azanyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-2-chloranyl-benzenecarbonitrile Openeye Name: 4-(4-amino-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-2-chloro-benzonitrile CAS Name: 4-(4-amino-5,6-dimethyl-7-pyrrolo[2,3-d]pyrimidinyl)-2-chlorobenzonitrile IUPAC Name: 4-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-2-chlorobenzonitrile Traditional Name: 4-(4-amino-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-2-chloro-benzonitrile Formula: C15H12ClN5 MolecularWeight: 297.74228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)N)C3=CC(=C(C=C3)C#N)Cl)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)N)C3=CC(=C(C=C3)C#N)Cl)C

InChI

InChI=1S/C15H12ClN5/c1-8-9(2)21(15-13(8)14(18)19-7-20-15)11-4-3-10(6-17)12(16)5-11/h3-5,7H,1-2H3,(H2,18,19,20)