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

Systemtic Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H21N4O2S+ MolecularWeight: 369.46064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2S/c1-21-7-9-22(10-8-21)17(24)12-23-13-20-18-15(19(23)25)11-16(26-18)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3/p+1