4-[(3-chloranyl-4-methoxy-phenyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(3-chloro-4-methoxy-anilino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(3-chloro-4-methoxyanilino)-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(3-chloro-4-methoxyanilino)-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(3-chloro-4-methoxy-anilino)-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C19H15ClN4OS MolecularWeight: 382.8666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=C2C#N)C3=CC=CC=C3)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=C2C#N)C3=CC=CC=C3)SC)Cl

InChI

InChI=1S/C19H15ClN4OS/c1-25-16-9-8-13(10-15(16)20)22-18-14(11-21)17(23-19(24-18)26-2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,22,23,24)