2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C22H21N5O3S3 MolecularWeight: 499.62884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC(=C3C=CSC3=N2)N)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC(=C3C=CSC3=N2)N)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H21N5O3S3/c23-20-18-7-12-31-21(18)25-22(24-20)32-14-19(28)26-8-10-27(11-9-26)33(29,30)17-6-5-15-3-1-2-4-16(15)13-17/h1-7,12-13H,8-11,14H2,(H2,23,24,25)