[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-(2-furylmethyl)-methyl-ammonium CAS Name: [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-(2-furanylmethyl)-methylammonium IUPAC Name: [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: [5-(4-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-(2-furfuryl)-methyl-ammonium Formula: C19H17ClN3O2S+ MolecularWeight: 386.87518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

Isomeric SMILES

C[NH+](CC1=CC=CO1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

InChI

InChI=1S/C19H16ClN3O2S/c1-23(9-14-3-2-8-25-14)10-16-21-18(24)17-15(11-26-19(17)22-16)12-4-6-13(20)7-5-12/h2-8,11H,9-10H2,1H3,(H,21,22,24)/p+1