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

Systemtic Name: 2-[3-cyano-6-methyl-4-(methylaminomethyl)pyridin-2-yl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Openeye Name: 2-[[3-cyano-6-methyl-4-(methylaminomethyl)-2-pyridyl]sulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide CAS Name: 2-[[3-cyano-6-methyl-4-(methylaminomethyl)-2-pyridinyl]thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 2-[3-cyano-6-methyl-4-(methylaminomethyl)pyridin-2-yl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Traditional Name: 2-[[3-cyano-6-methyl-4-(methylaminomethyl)-2-pyridyl]thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)CNC)C#N)SC2=NC(C(=C(N2)C)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C(=C1)CNC)C#N)SC2=NC(C(=C(N2)C)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H22N6OS/c1-12-9-15(11-24-3)16(10-22)20(25-12)29-21-26-13(2)17(19(23)28)18(27-21)14-7-5-4-6-8-14/h4-9,18,24H,11H2,1-3H3,(H2,23,28)(H,26,27)