2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide

Systemtic Name: 2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide Openeye Name: 2-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide CAS Name: 2-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]acetamide IUPAC Name: 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[4-(pyrrolidine-1-carbonyl)benzyl]acetamide Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4)C

InChI

InChI=1S/C22H25N5O2S2/c1-13-14(2)31-20-18(13)19(23)25-22(26-20)30-12-17(28)24-11-15-5-7-16(8-6-15)21(29)27-9-3-4-10-27/h5-8H,3-4,9-12H2,1-2H3,(H,24,28)(H2,23,25,26)