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

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[3-[(3-methoxypropylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrimidine-4-carboxamide Formula: C20H25ClN4O3S2 MolecularWeight: 469.0205

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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)NCCCOC)Cl

Isomeric SMILES

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

InChI

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