6-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-6-methyl-5-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:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

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