N-(2,5-diethoxyphenyl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-(2,5-diethoxyphenyl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-(2,5-diethoxyphenyl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-(2,5-diethoxyphenyl)-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-(2,5-diethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-(2,5-diethoxyphenyl)-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

InChI

InChI=1S/C22H23N3O3S/c1-4-27-16-11-12-19(28-5-2)18(13-16)24-21(26)17-14-23-22(29-3)25-20(17)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,24,26)