5-azanyl-1-(6-methoxy-2-phenyl-pyrimidin-4-yl)-3-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(6-methoxy-2-phenyl-pyrimidin-4-yl)-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(6-methoxy-2-phenyl-pyrimidin-4-yl)-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-(6-methoxy-2-phenyl-4-pyrimidinyl)-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-(6-methoxy-2-phenyl-pyrimidin-4-yl)-3-(methylthio)pyrazole-4-carbonitrile Formula: C16H14N6OS MolecularWeight: 338.38696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)N2C(=C(C(=N2)SC)C#N)N)C3=CC=CC=C3

Isomeric SMILES

COC1=NC(=NC(=C1)N2C(=C(C(=N2)SC)C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C16H14N6OS/c1-23-13-8-12(19-15(20-13)10-6-4-3-5-7-10)22-14(18)11(9-17)16(21-22)24-2/h3-8H,18H2,1-2H3