ethyl 5-methyl-4-oxidanylidene-2-[[3-oxidanylidene-3-(quinolin-5-ylamino)propyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[[3-oxidanylidene-3-(quinolin-5-ylamino)propyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[[3-oxo-3-(5-quinolylamino)propyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[[3-oxo-3-(5-quinolinylamino)propyl]thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[[3-oxo-3-(quinolin-5-ylamino)propyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[[[3-keto-3-(5-quinolylamino)propyl]thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSCCC(=O)NC3=CC=CC4=C3C=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSCCC(=O)NC3=CC=CC4=C3C=CC=N4)C

InChI

InChI=1S/C23H22N4O4S2/c1-3-31-23(30)20-13(2)19-21(29)26-17(27-22(19)33-20)12-32-11-9-18(28)25-16-8-4-7-15-14(16)6-5-10-24-15/h4-8,10H,3,9,11-12H2,1-2H3,(H,25,28)(H,26,27,29)