6-ethyl-2-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 6-ethyl-2-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-2-methyl-thieno[2,3-d]pyrimidine CAS Name: 6-ethyl-2-methyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-2-methylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-2-methyl-thieno[2,3-d]pyrimidine Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N4S/c1-3-17-13-18-19(21-15(2)22-20(18)25-17)24-11-9-23(10-12-24)14-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3/p+1