diethyl-[2-[4-oxidanylidene-7-(oxolan-2-ylmethylcarbamoyl)-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[4-oxidanylidene-7-(oxolan-2-ylmethylcarbamoyl)-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[4-oxo-7-(tetrahydrofuran-2-ylmethylcarbamoyl)-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[4-oxo-7-[oxo-(2-oxolanylmethylamino)methyl]-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[4-oxo-7-(oxolan-2-ylmethylcarbamoyl)-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[4-keto-7-(tetrahydrofurfurylcarbamoyl)-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)NC1=S

InChI

InChI=1S/C20H28N4O3S/c1-3-23(4-2)9-10-24-19(26)16-8-7-14(12-17(16)22-20(24)28)18(25)21-13-15-6-5-11-27-15/h7-8,12,15H,3-6,9-11,13H2,1-2H3,(H,21,25)(H,22,28)/p+1