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

Systemtic Name: 5-azanyl-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]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(3-methyl-5-propan-2-ylphenoxy)-2-(methylthio)-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-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]pyrazole-4-carbonitrile Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6OS/c1-11(2)13-5-12(3)6-15(7-13)26-17-8-16(23-19(24-17)27-4)25-18(21)14(9-20)10-22-25/h5-8,10-11H,21H2,1-4H3