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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)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=CSC3=NC=NC(=C23)N4CCC[NH2+]CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC[NH2+]CC4)C

InChI

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