(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium

Systemtic Name: (4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium Openeye Name: (4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl-bis(2-thienylmethyl)ammonium CAS Name: (4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)ammonium IUPAC Name: (4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium Traditional Name: (4-keto-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl-bis(2-thenyl)ammonium Formula: C21H18N3O2S2+ MolecularWeight: 408.51652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=O)N=C(N3)C[NH+](CC4=CC=CS4)CC5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=O)N=C(N3)C[NH+](CC4=CC=CS4)CC5=CC=CS5

InChI

InChI=1S/C21H17N3O2S2/c25-21-20-19(16-7-1-2-8-17(16)26-20)22-18(23-21)13-24(11-14-5-3-9-27-14)12-15-6-4-10-28-15/h1-10H,11-13H2,(H,22,23,25)/p+1