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

Systemtic Name: phenethyl 5-methyl-4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C27H30N5O2S+ MolecularWeight: 488.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2S/c1-19-23-25(30-21-8-10-22(11-9-21)32-15-13-31(2)14-16-32)28-18-29-26(23)35-24(19)27(33)34-17-12-20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3,(H,28,29,30)/p+1