3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-isoquinolin-5-yl-propanamide

Systemtic Name: 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-isoquinolin-5-yl-propanamide Openeye Name: 3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-N-(5-isoquinolyl)propanamide CAS Name: 3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-(5-isoquinolinyl)propanamide IUPAC Name: 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-isoquinolin-5-ylpropanamide Traditional Name: N-(5-isoquinolyl)-3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propionamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=CC=CC4=C3C=CN=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=CC=CC4=C3C=CN=C4)C

InChI

InChI=1S/C20H18N4O2S/c1-12-13(2)27-19-18(12)20(26)24(11-22-19)9-7-17(25)23-16-5-3-4-14-10-21-8-6-15(14)16/h3-6,8,10-11H,7,9H2,1-2H3,(H,23,25)