N-[(2S)-6-methylheptan-2-yl]-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionamide Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CCN1C=NC2=C(C1=O)C=CS2

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)CCN1C=NC2=C(C1=O)C=CS2

InChI

InChI=1S/C17H25N3O2S/c1-12(2)5-4-6-13(3)19-15(21)7-9-20-11-18-16-14(17(20)22)8-10-23-16/h8,10-13H,4-7,9H2,1-3H3,(H,19,21)/t13-/m0/s1