6-iodanyl-2-sulfanylidene-3-(3,4,5-triethoxyphenyl)carbonyl-1H-quinazolin-4-one

Systemtic Name: 6-iodanyl-2-sulfanylidene-3-(3,4,5-triethoxyphenyl)carbonyl-1H-quinazolin-4-one Openeye Name: 6-iodo-2-thioxo-3-(3,4,5-triethoxybenzoyl)-1H-quinazolin-4-one CAS Name: 6-iodo-3-[oxo-(3,4,5-triethoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-iodo-2-sulfanylidene-3-(3,4,5-triethoxybenzoyl)-1H-quinazolin-4-one Traditional Name: 6-iodo-2-thioxo-3-(3,4,5-triethoxybenzoyl)-1H-quinazolin-4-one Formula: C21H21IN2O5S MolecularWeight: 540.37131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2C(=O)C3=C(C=CC(=C3)I)NC2=S

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2C(=O)C3=C(C=CC(=C3)I)NC2=S

InChI

InChI=1S/C21H21IN2O5S/c1-4-27-16-9-12(10-17(28-5-2)18(16)29-6-3)19(25)24-20(26)14-11-13(22)7-8-15(14)23-21(24)30/h7-11H,4-6H2,1-3H3,(H,23,30)