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

Systemtic Name: 2-methylpropyl 5-methyl-4-[(5-oxidanylnaphthalen-1-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-12(2)10-28-22(27)19-13(3)18-20(23-11-24-21(18)29-19)25-16-8-4-7-15-14(16)6-5-9-17(15)26/h4-9,11-12,26H,10H2,1-3H3,(H,23,24,25)