4-[[4-(azocan-1-yl)-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-(azocan-1-yl)-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(azocan-1-yl)-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-(1-azocanyl)-5-phenyl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(azocan-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-(azocan-1-yl)-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CCC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C24H30N4OS/c1-2-7-11-28(12-8-3-1)23-22-20(19-9-5-4-6-10-19)18-30-24(22)26-21(25-23)17-27-13-15-29-16-14-27/h4-6,9-10,18H,1-3,7-8,11-17H2/p+1