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

Systemtic Name: 5-chloranyl-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-[(3-ethoxypropylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C20H25ClN4O3S2 MolecularWeight: 469.0205

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CCOCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C20H25ClN4O3S2/c1-3-28-10-6-9-22-17(26)15-12-7-4-5-8-14(12)30-19(15)25-18(27)16-13(21)11-23-20(24-16)29-2/h11H,3-10H2,1-2H3,(H,22,26)(H,25,27)