4-(5-azanyl-3-tert-butyl-pyrazol-1-yl)-2-(4-methoxyphenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(5-azanyl-3-tert-butyl-pyrazol-1-yl)-2-(4-methoxyphenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(5-amino-3-tert-butyl-pyrazol-1-yl)-2-(4-methoxyphenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(5-amino-3-tert-butyl-1-pyrazolyl)-2-(4-methoxyphenyl)-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(5-amino-3-tert-butyl-pyrazol-1-yl)-2-(4-methoxyphenyl)-6-(methylthio)pyrimidine-5-carbonitrile Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)N)C2=C(C(=NC(=N2)C3=CC=C(C=C3)OC)SC)C#N

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)N)C2=C(C(=NC(=N2)C3=CC=C(C=C3)OC)SC)C#N

InChI

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