5,6-dimethyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-(phenylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-benzyl-5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-[(2-keto-2-pyrrolidino-ethyl)thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H23N3O2S2/c1-14-15(2)28-19-18(14)20(26)24(12-16-8-4-3-5-9-16)21(22-19)27-13-17(25)23-10-6-7-11-23/h3-5,8-9H,6-7,10-13H2,1-2H3