2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-iodanyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-iodanyl-1H-quinazolin-4-one Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-iodo-1H-quinazolin-4-one CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-6-iodo-1H-quinazolin-4-one IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-iodo-1H-quinazolin-4-one Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-6-iodo-1H-quinazolin-4-one Formula: C18H15IN2O4S MolecularWeight: 482.29217

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)C=CC(=C3)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)C=CC(=C3)I)OC

InChI

InChI=1S/C18H15IN2O4S/c1-24-15-6-3-10(7-16(15)25-2)14(22)9-26-18-20-13-5-4-11(19)8-12(13)17(23)21-18/h3-8H,9H2,1-2H3,(H,20,21,23)