ethyl 3-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 3-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 3-(3-benzyl-6-iodo-4-oxo-quinazolin-2-yl)sulfanylbutanoate CAS Name: 3-[[6-iodo-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylbutanoate Traditional Name: 3-[(3-benzyl-6-iodo-4-keto-quinazolin-2-yl)thio]butyric acid ethyl ester Formula: C21H21IN2O3S MolecularWeight: 508.37251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H21IN2O3S/c1-3-27-19(25)11-14(2)28-21-23-18-10-9-16(22)12-17(18)20(26)24(21)13-15-7-5-4-6-8-15/h4-10,12,14H,3,11,13H2,1-2H3