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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-iodo-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-iodo-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-iodo-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-homoveratryl-6-iodo-2-thioxo-1H-quinazolin-4-one Formula: C18H17IN2O3S MolecularWeight: 468.30865

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=CC(=C3)I)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=CC(=C3)I)NC2=S)OC

InChI

InChI=1S/C18H17IN2O3S/c1-23-15-6-3-11(9-16(15)24-2)7-8-21-17(22)13-10-12(19)4-5-14(13)20-18(21)25/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)