5-azanyl-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-methyl-pyrazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-methyl-pyrazole-4-carboxamide Openeye Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-methyl-pyrazole-4-carboxamide CAS Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-(methylthio)-4-pyrimidinyl]-3-methyl-4-pyrazolecarboxamide IUPAC Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]-3-methylpyrazole-4-carboxamide Traditional Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-(methylthio)pyrimidin-4-yl]-3-methyl-pyrazole-4-carboxamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O2S/c1-9-5-6-12(7-10(9)2)26-14-8-13(21-18(22-14)27-4)24-16(19)15(17(20)25)11(3)23-24/h5-8H,19H2,1-4H3,(H2,20,25)