N-(3,4-diethoxyphenyl)-4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxamide

Systemtic Name: N-(3,4-diethoxyphenyl)-4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxamide Openeye Name: N-(3,4-diethoxyphenyl)-4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxamide CAS Name: N-(3,4-diethoxyphenyl)-4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxamide IUPAC Name: N-(3,4-diethoxyphenyl)-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide Traditional Name: N-(3,4-diethoxyphenyl)-4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=CS3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=CS3)C)OCC

InChI

InChI=1S/C21H23N3O3S2/c1-5-26-15-10-9-14(12-16(15)27-6-2)23-20(25)18-13(3)22-19(24-21(18)28-4)17-8-7-11-29-17/h7-12H,5-6H2,1-4H3,(H,23,25)