[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl-(2-furfuryl)-(2-thenyl)ammonium Formula: C21H21N4O3S+ MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C[NH+](CC3=CC=CO3)CC4=CC=CS4)CC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)C[NH+](CC3=CC=CO3)CC4=CC=CS4)CC(=O)N

InChI

InChI=1S/C21H20N4O3S/c22-19(26)13-25-20(23-18-8-2-1-7-17(18)21(25)27)14-24(11-15-5-3-9-28-15)12-16-6-4-10-29-16/h1-10H,11-14H2,(H2,22,26)/p+1