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

Systemtic Name: methyl 3-azanyl-2-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 3-amino-2-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-amino-2-[(4-tert-butylphenyl)methylthio]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-2-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-amino-2-[(4-tert-butylbenzyl)thio]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(C)(C)C)N)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(C)(C)C)N)C(=O)OC

InChI

InChI=1S/C20H23N3O3S2/c1-11-14-16(28-15(11)18(25)26-5)22-19(23(21)17(14)24)27-10-12-6-8-13(9-7-12)20(2,3)4/h6-9H,10,21H2,1-5H3