2-methylpropyl 4-[bis(2-hydroxyethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 4-[bis(2-hydroxyethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-[bis(2-hydroxyethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[bis(2-hydroxyethyl)amino]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[bis(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[bis(2-hydroxyethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N(CCO)CCO)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N(CCO)CCO)C)C(=O)OCC(C)C

InChI

InChI=1S/C17H25N3O4S/c1-10(2)9-24-17(23)14-11(3)13-15(20(5-7-21)6-8-22)18-12(4)19-16(13)25-14/h10,21-22H,5-9H2,1-4H3