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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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