N-(2-acetamidoethyl)-2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-acetamidoethyl)-2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-acetamidoethyl)-2-[[(2,5-dimethylphenyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-(2-acetamidoethyl)-2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-acetamidoethyl)-2-[[(2,5-dimethylphenyl)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)NCCNC(=O)C)C)C(=O)N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)NCCNC(=O)C)C)C(=O)N2

InChI

InChI=1S/C21H24N4O3S2/c1-11-5-6-12(2)15(9-11)29-10-16-24-19(27)17-13(3)18(30-21(17)25-16)20(28)23-8-7-22-14(4)26/h5-6,9H,7-8,10H2,1-4H3,(H,22,26)(H,23,28)(H,24,25,27)