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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-ethylphenyl)-6-methyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-ethylphenyl)-6-methyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-ethylphenyl)-6-methylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-ethylphenyl)-6-methylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-ethylphenyl)-6-methyl-thieno[2,3-d]pyrimidine Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CCC[NH2+]CC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CCC[NH2+]CC4)C

InChI

InChI=1S/C20H24N4S/c1-3-15-5-7-16(8-6-15)17-14(2)25-20-18(17)19(22-13-23-20)24-11-4-9-21-10-12-24/h5-8,13,21H,3-4,9-12H2,1-2H3/p+1