5,6-dimethyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NNC(=O)N3CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NNC(=O)N3CCC4=CC=CC=C4)C

InChI

InChI=1S/C19H19N5O2S2/c1-11-12(2)28-17-15(11)16(25)20-14(21-17)10-27-19-23-22-18(26)24(19)9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,22,26)(H,20,21,25)