2-[[4-(2-imidazol-1-ylethoxy)phenyl]amino]-4-thiophen-2-yl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[4-(2-imidazol-1-ylethoxy)phenyl]amino]-4-thiophen-2-yl-pyrimidine-5-carbonitrile Openeye Name: 2-[4-(2-imidazol-1-ylethoxy)anilino]-4-(2-thienyl)pyrimidine-5-carbonitrile CAS Name: 2-[4-[2-(1-imidazolyl)ethoxy]anilino]-4-thiophen-2-yl-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-(2-imidazol-1-ylethoxy)anilino]-4-thiophen-2-ylpyrimidine-5-carbonitrile Traditional Name: 2-[4-(2-imidazol-1-ylethoxy)anilino]-4-(2-thienyl)pyrimidine-5-carbonitrile Formula: C20H16N6OS MolecularWeight: 388.44564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)OCCN4C=CN=C4

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)OCCN4C=CN=C4

InChI

InChI=1S/C20H16N6OS/c21-12-15-13-23-20(25-19(15)18-2-1-11-28-18)24-16-3-5-17(6-4-16)27-10-9-26-8-7-22-14-26/h1-8,11,13-14H,9-10H2,(H,23,24,25)