5-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrimidine-4-carboxamide Formula: C21H17BrN4OS2 MolecularWeight: 485.41988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC(=NC=C3Br)SCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC(=NC=C3Br)SCC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H17BrN4OS2/c22-16-11-24-21(28-12-13-6-2-1-3-7-13)25-18(16)19(27)26-20-15(10-23)14-8-4-5-9-17(14)29-20/h1-3,6-7,11H,4-5,8-9,12H2,(H,26,27)