methyl 2-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(4-tert-butylbenzyl)-methyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(C)CC3=CC=C(C=C3)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(C)CC3=CC=C(C=C3)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C22H27N3O3S/c1-13-17-19(26)23-16(24-20(17)29-18(13)21(27)28-6)12-25(5)11-14-7-9-15(10-8-14)22(2,3)4/h7-10H,11-12H2,1-6H3,(H,23,24,26)