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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-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 [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCN4C=NC5=C(C4=O)C=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCN4C=NC5=C(C4=O)C=CS5

InChI

InChI=1S/C22H26N4O5S/c27-17(24-21(30)25-22-8-13-5-14(9-22)7-15(6-13)10-22)11-31-18(28)1-3-26-12-23-19-16(20(26)29)2-4-32-19/h2,4,12-15H,1,3,5-11H2,(H2,24,25,27,30)