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

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[3-(oxolan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[3-(tetrahydrofuran-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[3-[oxo-(2-oxolanylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-[3-(oxolan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-[3-(tetrahydrofurfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrimidine-4-carboxamide Formula: C21H25ClN4O3S2 MolecularWeight: 481.0312

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4CCCO4)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4CCCO4)Cl

InChI

InChI=1S/C21H25ClN4O3S2/c1-2-30-21-24-11-14(22)17(25-21)19(28)26-20-16(13-7-3-4-8-15(13)31-20)18(27)23-10-12-6-5-9-29-12/h11-12H,2-10H2,1H3,(H,23,27)(H,26,28)