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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)N3CCC[NH2+]CC3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)N3CCC[NH2+]CC3)C4=CC=C(C=C4)C

InChI

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