1-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-3-carboxamide

Systemtic Name: 1-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-3-carboxamide Openeye Name: 1-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-3-carboxamide CAS Name: 1-[2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-3-carboxamide Traditional Name: 1-[2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]nipecotamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)N4CCCC(C4)C(=O)N

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)N4CCCC(C4)C(=O)N

InChI

InChI=1S/C21H22N4O2S2/c1-13-23-20(28-12-18(26)25-9-5-8-15(11-25)19(22)27)16-10-17(29-21(16)24-13)14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H2,22,27)