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

Systemtic Name: 3-[[5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[(7-benzyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzonitrile CAS Name: 3-[[5,6-dimethyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)amino]benzonitrile Traditional Name: 3-[(7-benzyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzonitrile Formula: C22H19N5 MolecularWeight: 353.41976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NC3=CC=CC(=C3)C#N)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NC3=CC=CC(=C3)C#N)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H19N5/c1-15-16(2)27(13-17-7-4-3-5-8-17)22-20(15)21(24-14-25-22)26-19-10-6-9-18(11-19)12-23/h3-11,14H,13H2,1-2H3,(H,24,25,26)