2-[5-azanyl-4-(phenylmethylsulfanyl)-6-pyrrolidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[5-azanyl-4-(phenylmethylsulfanyl)-6-pyrrolidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[5-amino-4-benzylsulfanyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-amino-6-[oxo(1-pyrrolidinyl)methyl]-4-(phenylmethylthio)-2-thieno[2,3-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[5-amino-4-benzylsulfanyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-amino-4-(benzylthio)-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]thio]-1-pyrrolidino-ethanone Formula: C24H27N5O2S3 MolecularWeight: 513.69848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(C(=C(S3)C(=O)N4CCCC4)N)C(=N2)SCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(C(=C(S3)C(=O)N4CCCC4)N)C(=N2)SCC5=CC=CC=C5

InChI

InChI=1S/C24H27N5O2S3/c25-19-18-21(32-14-16-8-2-1-3-9-16)26-24(33-15-17(30)28-10-4-5-11-28)27-22(18)34-20(19)23(31)29-12-6-7-13-29/h1-3,8-9H,4-7,10-15,25H2