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

Systemtic Name: 3-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[5-(4-bromophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile Formula: C20H13BrN4S MolecularWeight: 421.31302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C#N)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C#N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H13BrN4S/c1-12-17(14-5-7-15(21)8-6-14)18-19(23-11-24-20(18)26-12)25-16-4-2-3-13(9-16)10-22/h2-9,11H,1H3,(H,23,24,25)