4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(homoveratrylamino)-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=NC(=C2C#N)C3=CC=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=NC(=C2C#N)C3=CC=CC=C3)SC)OC

InChI

InChI=1S/C22H22N4O2S/c1-27-18-10-9-15(13-19(18)28-2)11-12-24-21-17(14-23)20(25-22(26-21)29-3)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3,(H,24,25,26)