4-[[4-(4-cyclopropyl-2,6-dimethyl-phenoxy)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-cyclopropyl-2,6-dimethyl-phenoxy)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-cyclopropyl-2,6-dimethyl-phenoxy)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-cyclopropyl-2,6-dimethylphenoxy)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile IUPAC Name: 4-[[4-(4-cyclopropyl-2,6-dimethylphenoxy)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-cyclopropyl-2,6-dimethyl-phenoxy)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile Formula: C24H21N5O MolecularWeight: 395.45644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC3=C2NC=C3)NC4=CC=C(C=C4)C#N)C)C5CC5

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC3=C2NC=C3)NC4=CC=C(C=C4)C#N)C)C5CC5

InChI

InChI=1S/C24H21N5O/c1-14-11-18(17-5-6-17)12-15(2)22(14)30-23-21-20(9-10-26-21)28-24(29-23)27-19-7-3-16(13-25)4-8-19/h3-4,7-12,17,26H,5-6H2,1-2H3,(H,27,28,29)