N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-2-(methylsulfanylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-2-(methylsulfanylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-2-(methylsulfanylmethyl)-4-oxo-N-[(4S)-thiochroman-4-yl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-5-methyl-2-[(methylthio)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-2-(methylsulfanylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-5-methyl-2-[(methylthio)methyl]-N-[(4S)-thiochroman-4-yl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H19N3O2S3 MolecularWeight: 417.56806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC)C(=O)N[C@H]3CCSC4=CC=CC=C34

InChI

InChI=1S/C19H19N3O2S3/c1-10-15-17(23)21-14(9-25-2)22-19(15)27-16(10)18(24)20-12-7-8-26-13-6-4-3-5-11(12)13/h3-6,12H,7-9H2,1-2H3,(H,20,24)(H,21,22,23)/t12-/m0/s1