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

Systemtic Name: phenethyl 5-methyl-4-(naphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-(1-naphthylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(1-naphthalenylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-(naphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(1-naphthylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2S/c1-17-22-24(29-21-13-7-11-19-10-5-6-12-20(19)21)27-16-28-25(22)32-23(17)26(30)31-15-14-18-8-3-2-4-9-18/h2-13,16H,14-15H2,1H3,(H,27,28,29)