4-[2-[(4-cyanophenyl)amino]-5-(methylamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[2-[(4-cyanophenyl)amino]-5-(methylamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[2-(4-cyanoanilino)-5-(methylamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[2-(4-cyanoanilino)-5-(methylamino)-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[2-(4-cyanoanilino)-5-(methylamino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[2-(4-cyanoanilino)-5-(methylamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C21H18N6O MolecularWeight: 370.40722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O/c1-13-8-16(11-23)9-14(2)19(13)28-20-18(24-3)12-25-21(27-20)26-17-6-4-15(10-22)5-7-17/h4-9,12,24H,1-3H3,(H,25,26,27)