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

Systemtic Name: 2-azanyl-4-[2-[(4-cyanophenyl)amino]-5-methyl-pyrimidin-4-yl]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 2-amino-4-[2-(4-cyanoanilino)-5-methyl-pyrimidin-4-yl]-3,5-dimethyl-benzonitrile CAS Name: 2-amino-4-[2-(4-cyanoanilino)-5-methyl-4-pyrimidinyl]-3,5-dimethylbenzonitrile IUPAC Name: 2-amino-4-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]-3,5-dimethylbenzonitrile Traditional Name: 2-amino-4-[2-(4-cyanoanilino)-5-methyl-pyrimidin-4-yl]-3,5-dimethyl-benzonitrile Formula: C21H18N6 MolecularWeight: 354.40782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C#N)N)C)C2=NC(=NC=C2C)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1)C#N)N)C)C2=NC(=NC=C2C)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N6/c1-12-8-16(10-23)19(24)14(3)18(12)20-13(2)11-25-21(27-20)26-17-6-4-15(9-22)5-7-17/h4-8,11H,24H2,1-3H3,(H,25,26,27)