ethyl 5-methyl-2-(morpholin-4-ylmethyl)-4-(4-phenoxybutylamino)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-(morpholin-4-ylmethyl)-4-(4-phenoxybutylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(morpholinomethyl)-4-(4-phenoxybutylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(4-morpholinylmethyl)-4-(4-phenoxybutylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(morpholin-4-ylmethyl)-4-(4-phenoxybutylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(morpholinomethyl)-4-(4-phenoxybutylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCOCC3)NCCCCOC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCOCC3)NCCCCOC4=CC=CC=C4)C

InChI

InChI=1S/C25H32N4O4S/c1-3-32-25(30)22-18(2)21-23(26-11-7-8-14-33-19-9-5-4-6-10-19)27-20(28-24(21)34-22)17-29-12-15-31-16-13-29/h4-6,9-10H,3,7-8,11-17H2,1-2H3,(H,26,27,28)