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

Systemtic Name: 5-azanyl-1-[6-(3-methyl-5-propan-2-yl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(3-isopropyl-5-methyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(3-methyl-5-propan-2-ylphenoxy)-2-(methylthio)-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(3-methyl-5-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(3-isopropyl-5-methyl-phenoxy)-2-(methylthio)pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C20H22N6OS2 MolecularWeight: 426.55828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC(=NC(=C2)N3C(=C(C(=N3)SC)C#N)N)SC)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC(=NC(=C2)N3C(=C(C(=N3)SC)C#N)N)SC)C(C)C

InChI

InChI=1S/C20H22N6OS2/c1-11(2)13-6-12(3)7-14(8-13)27-17-9-16(23-20(24-17)29-5)26-18(22)15(10-21)19(25-26)28-4/h6-9,11H,22H2,1-5H3