2-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-(3-benzyl-6-iodo-4-oxo-quinazolin-2-yl)sulfanylacetic acid CAS Name: 2-[[6-iodo-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid IUPAC Name: 2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-benzyl-6-iodo-4-keto-quinazolin-2-yl)thio]acetic acid Formula: C17H13IN2O3S MolecularWeight: 452.26619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)O

InChI

InChI=1S/C17H13IN2O3S/c18-12-6-7-14-13(8-12)16(23)20(9-11-4-2-1-3-5-11)17(19-14)24-10-15(21)22/h1-8H,9-10H2,(H,21,22)