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

Systemtic Name: 5-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-oxo-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-oxo-N-phenyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-methyl-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H24N5O3S+ MolecularWeight: 426.51196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S/c1-14-17-20(30-18(14)19(28)23-15-6-4-3-5-7-15)22-13-26(21(17)29)12-16(27)25-10-8-24(2)9-11-25/h3-7,13H,8-12H2,1-2H3,(H,23,28)/p+1