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

Systemtic Name: methyl 3-azanyl-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 3-amino-5-methyl-2-(o-tolylmethylsulfanyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-amino-5-methyl-2-[(2-methylphenyl)methylthio]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-amino-4-keto-5-methyl-2-[(2-methylbenzyl)thio]thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2N

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2N

InChI

InChI=1S/C17H17N3O3S2/c1-9-6-4-5-7-11(9)8-24-17-19-14-12(15(21)20(17)18)10(2)13(25-14)16(22)23-3/h4-7H,8,18H2,1-3H3