ethyl 2-[3-cyano-6-methyl-4-(methylaminomethyl)pyridin-2-yl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[3-cyano-6-methyl-4-(methylaminomethyl)pyridin-2-yl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-[[3-cyano-6-methyl-4-(methylaminomethyl)-2-pyridyl]sulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-[[3-cyano-6-methyl-4-(methylaminomethyl)-2-pyridinyl]thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-methyl-4-(methylaminomethyl)pyridin-2-yl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-[[3-cyano-6-methyl-4-(methylaminomethyl)-2-pyridyl]thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SC3=C(C(=CC(=N3)C)CNC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SC3=C(C(=CC(=N3)C)CNC)C#N)C

InChI

InChI=1S/C23H25N5O2S/c1-5-30-22(29)19-15(3)27-23(28-20(19)16-9-7-6-8-10-16)31-21-18(12-24)17(13-25-4)11-14(2)26-21/h6-11,20,25H,5,13H2,1-4H3,(H,27,28)