5-azanyl-3-ethyl-1-[2-methylsulfanyl-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-ethyl-1-[2-methylsulfanyl-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-3-ethyl-1-[6-(4-isopropylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-3-ethyl-1-[2-(methylthio)-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-ethyl-1-[2-methylsulfanyl-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-3-ethyl-1-[6-(4-isopropylphenoxy)-2-(methylthio)pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H22N6OS/c1-5-16-15(11-21)19(22)26(25-16)17-10-18(24-20(23-17)28-4)27-14-8-6-13(7-9-14)12(2)3/h6-10,12H,5,22H2,1-4H3