[6-methyl-5-[(2R)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-phenylsulfanylethanoate

Systemtic Name: [6-methyl-5-[(2R)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-phenylsulfanylethanoate Openeye Name: [6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [4-keto-6-methyl-5-[(2R)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CC[C@@H](C)CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N2O3S2/c1-4-13(2)10-16-14(3)28-21-19(16)20(25)22-17(23-21)11-26-18(24)12-27-15-8-6-5-7-9-15/h5-9,13H,4,10-12H2,1-3H3,(H,22,23,25)/t13-/m1/s1