5-(3,4-dimethylphenyl)-6-ethyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 5-(3,4-dimethylphenyl)-6-ethyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Openeye Name: 5-(3,4-dimethylphenyl)-6-ethyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine CAS Name: 5-(3,4-dimethylphenyl)-6-ethyl-4-(1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(3,4-dimethylphenyl)-6-ethyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine Traditional Name: 5-(3,4-dimethylphenyl)-6-ethyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)N3CC[NH2+]CC3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)N3CC[NH2+]CC3)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C20H24N4S/c1-4-16-17(15-6-5-13(2)14(3)11-15)18-19(22-12-23-20(18)25-16)24-9-7-21-8-10-24/h5-6,11-12,21H,4,7-10H2,1-3H3/p+1