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

Systemtic Name: N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(cyclopropylmethyl)-2-[[(2,5-dimethylphenyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(cyclopropylmethyl)-2-[[(2,5-dimethylphenyl)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)NCC4CC4)C)C(=O)N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)NCC4CC4)C)C(=O)N2

InChI

InChI=1S/C21H23N3O2S2/c1-11-4-5-12(2)15(8-11)27-10-16-23-19(25)17-13(3)18(28-21(17)24-16)20(26)22-9-14-6-7-14/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,22,26)(H,23,24,25)