3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide

Systemtic Name: 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide Openeye Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(1-piperidylsulfonyl)phenyl]methyl]propanamide CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-[[2-(1-piperidinylsulfonyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-(2-piperidinosulfonylbenzyl)propionamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2CNC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2CNC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C21H24N4O4S2/c26-19(8-12-24-15-23-20-17(21(24)27)9-13-30-20)22-14-16-6-2-3-7-18(16)31(28,29)25-10-4-1-5-11-25/h2-3,6-7,9,13,15H,1,4-5,8,10-12,14H2,(H,22,26)