4-[[6-azanyl-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[[6-azanyl-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[6-amino-2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile CAS Name: 4-[[6-amino-2-(4-cyanoanilino)-4-pyrimidinyl]amino]-3,5-dimethylbenzonitrile IUPAC Name: 4-[[6-amino-2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethylbenzonitrile Traditional Name: 4-[[6-amino-2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile Formula: C20H17N7 MolecularWeight: 355.39588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC(=C2)N)NC3=CC=C(C=C3)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC(=C2)N)NC3=CC=C(C=C3)C#N)C)C#N

InChI

InChI=1S/C20H17N7/c1-12-7-15(11-22)8-13(2)19(12)26-18-9-17(23)25-20(27-18)24-16-5-3-14(10-21)4-6-16/h3-9H,1-2H3,(H4,23,24,25,26,27)