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

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

Systemtic Name:2-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]ethanenitrile
Openeye Name:2-(3-benzyl-6-iodo-4-oxo-quinazolin-2-yl)acetonitrile
CAS Name:2-[6-iodo-4-oxo-3-(phenylmethyl)-2-quinazolinyl]acetonitrile
IUPAC Name:2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)acetonitrile
Traditional Name:2-(3-benzyl-6-iodo-4-keto-quinazolin-2-yl)acetonitrile
Formula: C17H12IN3O
MolecularWeight: 401.20115
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C=C(C=C3)I)CC#N


Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C=C(C=C3)I)CC#N


InChI

InChI=1S/C17H12IN3O/c18-13-6-7-15-14(10-13)17(22)21(16(20-15)8-9-19)11-12-4-2-1-3-5-12/h1-7,10H,8,11H2


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