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

Systemtic Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidine CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-(2-pyridinyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidine Formula: C23H24N5S+ MolecularWeight: 402.53516

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5S/c1-27-12-7-13-28(15-14-27)22-20-18(17-8-3-2-4-9-17)16-29-23(20)26-21(25-22)19-10-5-6-11-24-19/h2-6,8-11,16H,7,12-15H2,1H3/p+1