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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-5-p-phenetyl-thieno[2,3-d]pyrimidine Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC[NH2+]CC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC[NH2+]CC4

InChI

InChI=1S/C19H22N4OS/c1-2-24-15-6-4-14(5-7-15)16-12-25-19-17(16)18(21-13-22-19)23-10-3-8-20-9-11-23/h4-7,12-13,20H,2-3,8-11H2,1H3/p+1