phenethyl 5-methyl-4-[(5-oxidanylnaphthalen-1-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-[(5-oxidanylnaphthalen-1-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-[(5-hydroxy-1-naphthyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(5-hydroxy-1-naphthalenyl)amino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-[(5-hydroxynaphthalen-1-yl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(5-hydroxy-1-naphthyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC4=C3C=CC=C4O)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC4=C3C=CC=C4O)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O3S/c1-16-22-24(29-20-11-5-10-19-18(20)9-6-12-21(19)30)27-15-28-25(22)33-23(16)26(31)32-14-13-17-7-3-2-4-8-17/h2-12,15,30H,13-14H2,1H3,(H,27,28,29)