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

Systemtic Name: 5-(3,4-dimethylphenyl)-6-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Openeye Name: 5-(3,4-dimethylphenyl)-6-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine CAS Name: 5-(3,4-dimethylphenyl)-6-methyl-4-(1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(3,4-dimethylphenyl)-6-methyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine Traditional Name: 5-(3,4-dimethylphenyl)-6-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CC[NH2+]CC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CC[NH2+]CC4)C)C

InChI

InChI=1S/C19H22N4S/c1-12-4-5-15(10-13(12)2)16-14(3)24-19-17(16)18(21-11-22-19)23-8-6-20-7-9-23/h4-5,10-11,20H,6-9H2,1-3H3/p+1