2-[[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-propyl-amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-propyl-amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-propyl-amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-propylamino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-propylamino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[[2-keto-2-(4-mesylpiperazino)ethyl]-propyl-amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C17H25N5O4S2 MolecularWeight: 427.5415

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=CS2)CC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=CS2)CC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H25N5O4S2/c1-3-5-20(11-14-18-13-4-10-27-16(13)17(24)19-14)12-15(23)21-6-8-22(9-7-21)28(2,25)26/h4,10H,3,5-9,11-12H2,1-2H3,(H,18,19,24)