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

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide Openeye Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide Traditional Name: 2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-[2-pyrrolidino-2-(2-thienyl)ethyl]propionamide Formula: C22H28N4O2S3 MolecularWeight: 476.67832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NCC(C3=CC=CS3)N4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NCC(C3=CC=CS3)N4CCCC4)C

InChI

InChI=1S/C22H28N4O2S3/c1-13-14(2)31-22-19(13)21(28)24-18(25-22)12-30-15(3)20(27)23-11-16(17-7-6-10-29-17)26-8-4-5-9-26/h6-7,10,15-16H,4-5,8-9,11-12H2,1-3H3,(H,23,27)(H,24,25,28)