N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S/c1-4-29-20-12-11-17(15-21(20)30-5-2)13-14-25-23(28)19-16-26-24(31-3)27-22(19)18-9-7-6-8-10-18/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,25,28)