3-[2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propanoylamino]-4-pyrrolidino-benzamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4)C

InChI

InChI=1S/C23H27N5O3S2/c1-12-13(2)33-23-19(12)22(31)26-18(27-23)11-32-14(3)21(30)25-16-10-15(20(24)29)6-7-17(16)28-8-4-5-9-28/h6-7,10,14H,4-5,8-9,11H2,1-3H3,(H2,24,29)(H,25,30)(H,26,27,31)