(2S)-2-[2-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[1-oxo-2-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propyl-propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-3-9-21-18(26)13(2)23-16(25)10-24-12-22-19-17(20(24)27)15(11-28-19)14-7-5-4-6-8-14/h4-8,11-13H,3,9-10H2,1-2H3,(H,21,26)(H,23,25)/t13-/m0/s1