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

Systemtic Name: methyl 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-methyl-1-piperazin-4-iumyl)-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H23N4O2S+ MolecularWeight: 383.48722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)C)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)C)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C20H22N4O2S/c1-13-15-18(24-11-9-23(2)10-12-24)21-17(14-7-5-4-6-8-14)22-19(15)27-16(13)20(25)26-3/h4-8H,9-12H2,1-3H3/p+1