(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]propan-1-one Formula: C21H25N4OS2+ MolecularWeight: 413.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS2/c1-3-24-9-11-25(12-10-24)21(26)15(2)27-19-17-13-18(16-7-5-4-6-8-16)28-20(17)23-14-22-19/h4-8,13-15H,3,9-12H2,1-2H3/p+1/t15-/m0/s1