2-[[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]amino]-4-thiophen-2-yl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]amino]-4-thiophen-2-yl-pyrimidine-5-carbonitrile Openeye Name: 2-[4-[2-(2-methylimidazol-1-yl)ethoxy]anilino]-4-(2-thienyl)pyrimidine-5-carbonitrile CAS Name: 2-[4-[2-(2-methyl-1-imidazolyl)ethoxy]anilino]-4-thiophen-2-yl-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-[2-(2-methylimidazol-1-yl)ethoxy]anilino]-4-thiophen-2-ylpyrimidine-5-carbonitrile Traditional Name: 2-[4-[2-(2-methylimidazol-1-yl)ethoxy]anilino]-4-(2-thienyl)pyrimidine-5-carbonitrile Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCOC2=CC=C(C=C2)NC3=NC=C(C(=N3)C4=CC=CS4)C#N

Isomeric SMILES

CC1=NC=CN1CCOC2=CC=C(C=C2)NC3=NC=C(C(=N3)C4=CC=CS4)C#N

InChI

InChI=1S/C21H18N6OS/c1-15-23-8-9-27(15)10-11-28-18-6-4-17(5-7-18)25-21-24-14-16(13-22)20(26-21)19-3-2-12-29-19/h2-9,12,14H,10-11H2,1H3,(H,24,25,26)