ethyl 4-methyl-2-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoyl-pentyl-amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoyl-pentyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl-pentyl-amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl-pentylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propanoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H26N4O4S2 MolecularWeight: 462.58554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C21H26N4O4S2/c1-4-6-7-10-25(21-23-14(3)17(31-21)20(28)29-5-2)16(26)8-11-24-13-22-18-15(19(24)27)9-12-30-18/h9,12-13H,4-8,10-11H2,1-3H3