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

Systemtic Name: 5-azanyl-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carboxamide Openeye Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carboxamide CAS Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-(methylthio)-4-pyrimidinyl]-4-pyrazolecarboxamide IUPAC Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide Traditional Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-(methylthio)pyrimidin-4-yl]pyrazole-4-carboxamide Formula: C17H18N6O2S MolecularWeight: 370.42882

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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(=O)N)N)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O2S/c1-9-4-5-11(6-10(9)2)25-14-7-13(21-17(22-14)26-3)23-15(18)12(8-20-23)16(19)24/h4-8H,18H2,1-3H3,(H2,19,24)