phenethyl 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(1,3-benzodioxol-5-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H19N3O4S MolecularWeight: 433.47966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCO4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCO4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C23H19N3O4S/c1-14-19-21(26-16-7-8-17-18(11-16)30-13-29-17)24-12-25-22(19)31-20(14)23(27)28-10-9-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,24,25,26)