N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propionamide Formula: C21H23ClN4O4S2 MolecularWeight: 495.01472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C21H23ClN4O4S2/c1-13-14(2)31-20-19(13)21(28)25(12-23-20)10-7-18(27)24-15-5-6-16(22)17(11-15)32(29,30)26-8-3-4-9-26/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,24,27)