N-(3-chloranyl-4-methoxy-phenyl)-1-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonyl]piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-1-(4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carbonyl)isonipecotamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC=N2)C(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC=N2)C(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C21H21ClN4O4S/c1-11-16-19(28)23-10-24-20(16)31-17(11)21(29)26-7-5-12(6-8-26)18(27)25-13-3-4-15(30-2)14(22)9-13/h3-4,9-10,12H,5-8H2,1-2H3,(H,25,27)(H,23,24,28)