[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C20H19N3O4S/c24-16(8-10-23-12-21-19-15(20(23)26)9-11-28-19)27-17(13-4-2-1-3-5-13)18(25)22-14-6-7-14/h1-5,9,11-12,14,17H,6-8,10H2,(H,22,25)