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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC[NH2+]CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC[NH2+]CC4)OC

InChI

InChI=1S/C19H22N4O2S/c1-24-15-5-4-13(10-16(15)25-2)14-11-26-19-17(14)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