ethyl 4-azanyl-5-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[[(E)-3-(8-quinolyl)prop-2-enoyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[(E)-1-oxo-3-(8-quinolinyl)prop-2-enoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[[(E)-3-(8-quinolyl)acryloyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C=CC3=CC=CC4=C3N=CC=C4)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4)N)C

InChI

InChI=1S/C23H20N4O4S/c1-3-30-23(29)20-13(2)18-21(24)26-16(27-22(18)32-20)12-31-17(28)10-9-15-7-4-6-14-8-5-11-25-19(14)15/h4-11H,3,12H2,1-2H3,(H2,24,26,27)/b10-9+