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

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-pyrrolidin-1-ylpyridin-3-yl)propanamide Openeye Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-pyrrolidin-1-yl-3-pyridyl)propanamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-[6-(1-pyrrolidinyl)-3-pyridinyl]propanamide IUPAC Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-pyrrolidin-1-ylpyridin-3-yl)propanamide Traditional Name: 2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-(6-pyrrolidino-3-pyridyl)propionamide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S2/c1-12-13(2)30-21-18(12)20(28)24-16(25-21)11-29-14(3)19(27)23-15-6-7-17(22-10-15)26-8-4-5-9-26/h6-7,10,14H,4-5,8-9,11H2,1-3H3,(H,23,27)(H,24,25,28)