6-methyl-5-(4-methylphenyl)-2-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylmethyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-[[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2-keto-2-pyrrolidino-ethyl)thio]methyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSCC(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSCC(=O)N4CCCC4)C

InChI

InChI=1S/C21H23N3O2S2/c1-13-5-7-15(8-6-13)18-14(2)28-21-19(18)20(26)22-16(23-21)11-27-12-17(25)24-9-3-4-10-24/h5-8H,3-4,9-12H2,1-2H3,(H,22,23,26)