[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C19H25N3O4S/c1-13(17(24)20-11-14-5-3-2-4-6-14)26-16(23)7-9-22-12-21-18-15(19(22)25)8-10-27-18/h8,10,12-14H,2-7,9,11H2,1H3,(H,20,24)