ethyl 5-methyl-4-oxidanylidene-2-[[3-oxidanylidene-3-(quinolin-8-ylamino)propyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[[3-oxidanylidene-3-(quinolin-8-ylamino)propyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[[3-oxo-3-(8-quinolylamino)propyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[[3-oxo-3-(8-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-8-ylamino)propyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[[[3-keto-3-(8-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=C3N=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSCCC(=O)NC3=CC=CC4=C3N=CC=C4)C

InChI

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