5-(4-ethoxyphenyl)-6-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(4-ethoxyphenyl)-6-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-ethoxyphenyl)-6-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-ethoxyphenyl)-6-methyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-ethoxyphenyl)-6-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)phenyl]-(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C26H30N5OS+ MolecularWeight: 460.6143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC=C(C=C4)N5CC[NH+](CC5)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC=C(C=C4)N5CC[NH+](CC5)C)C

InChI

InChI=1S/C26H29N5OS/c1-4-32-22-11-5-19(6-12-22)23-18(2)33-26-24(23)25(27-17-28-26)29-20-7-9-21(10-8-20)31-15-13-30(3)14-16-31/h5-12,17H,4,13-16H2,1-3H3,(H,27,28,29)/p+1