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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4OS/c1-23-14-5-3-13(4-6-14)15-11-24-18-16(15)17(20-12-21-18)22-9-2-7-19-8-10-22/h3-6,11-12,19H,2,7-10H2,1H3/p+1