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

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-N-(furan-2-ylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-N-(2-furylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-N-(2-furanylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-N-(furan-2-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-N-(2-furfuryl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)NCC4=CC=CO4)C)C(=O)N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)NCC4=CC=CO4)C)C(=O)N2

InChI

InChI=1S/C22H21N3O3S2/c1-12-6-7-13(2)16(9-12)29-11-17-24-20(26)18-14(3)19(30-22(18)25-17)21(27)23-10-15-5-4-8-28-15/h4-9H,10-11H2,1-3H3,(H,23,27)(H,24,25,26)