3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile Formula: C22H18N4S MolecularWeight: 370.47012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC=CC(=C4)C#N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC=CC(=C4)C#N)C)C

InChI

InChI=1S/C22H18N4S/c1-13-7-8-17(9-14(13)2)19-15(3)27-22-20(19)21(24-12-25-22)26-18-6-4-5-16(10-18)11-23/h4-10,12H,1-3H3,(H,24,25,26)