5-bromanyl-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-bromo-N-[3-[(3-methoxypropylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-bromo-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C19H23BrN4O3S2 MolecularWeight: 499.44492

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Br)SC

Isomeric SMILES

COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Br)SC

InChI

InChI=1S/C19H23BrN4O3S2/c1-27-9-5-8-21-16(25)14-11-6-3-4-7-13(11)29-18(14)24-17(26)15-12(20)10-22-19(23-15)28-2/h10H,3-9H2,1-2H3,(H,21,25)(H,24,26)