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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-1-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-1-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-1-(4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carbonyl)isonipecotamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(C4=C(S3)N=CNC4=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(C4=C(S3)N=CNC4=O)C)Cl

InChI

InChI=1S/C21H21ClN4O3S/c1-11-3-4-14(9-15(11)22)25-18(27)13-5-7-26(8-6-13)21(29)17-12(2)16-19(28)23-10-24-20(16)30-17/h3-4,9-10,13H,5-8H2,1-2H3,(H,25,27)(H,23,24,28)