4-[[4-(4-cyclopropyl-2,6-dimethyl-phenoxy)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-cyclopropyl-2,6-dimethyl-phenoxy)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-cyclopropyl-2,6-dimethyl-phenoxy)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-cyclopropyl-2,6-dimethylphenoxy)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile IUPAC Name: 4-[[4-(4-cyclopropyl-2,6-dimethylphenoxy)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-cyclopropyl-2,6-dimethyl-phenoxy)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile Formula: C25H23N5O MolecularWeight: 409.48302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC3=C2NC=C3C)NC4=CC=C(C=C4)C#N)C)C5CC5

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC3=C2NC=C3C)NC4=CC=C(C=C4)C#N)C)C5CC5

InChI

InChI=1S/C25H23N5O/c1-14-10-19(18-6-7-18)11-15(2)23(14)31-24-22-21(16(3)13-27-22)29-25(30-24)28-20-8-4-17(12-26)5-9-20/h4-5,8-11,13,18,27H,6-7H2,1-3H3,(H,28,29,30)