N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]propionamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1COCC[NH+]1C[C@H](C2=CC=CC=C2)NC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C21H24N4O3S/c26-19(6-8-25-15-22-20-17(21(25)27)7-13-29-20)23-18(16-4-2-1-3-5-16)14-24-9-11-28-12-10-24/h1-5,7,13,15,18H,6,8-12,14H2,(H,23,26)/p+1/t18-/m1/s1