3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H23N4O2S+ MolecularWeight: 383.48722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S/c1-2-22-8-10-23(11-9-22)18(25)13-24-14-21-19-16(20(24)26)12-17(27-19)15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3/p+1