2-(azepan-1-ium-1-ylmethyl)-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-(1-azepan-1-iumylmethyl)-6-(4-chlorophenyl)-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-olate Formula: C19H20ClN3OS MolecularWeight: 373.8996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC3=C(C(=N2)[O-])SC(=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC3=C(C(=N2)[O-])SC(=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN3OS/c20-14-7-5-13(6-8-14)16-11-15-18(25-16)19(24)22-17(21-15)12-23-9-3-1-2-4-10-23/h5-8,11H,1-4,9-10,12H2,(H,21,22,24)