N-[4-[(3-iodanylphenyl)amino]quinazolin-6-yl]prop-2-enamide

Systemtic Name: N-[4-[(3-iodanylphenyl)amino]quinazolin-6-yl]prop-2-enamide Openeye Name: N-[4-(3-iodoanilino)quinazolin-6-yl]prop-2-enamide CAS Name: N-[4-(3-iodoanilino)-6-quinazolinyl]-2-propenamide IUPAC Name: N-[4-(3-iodoanilino)quinazolin-6-yl]prop-2-enamide Traditional Name: N-[4-(3-iodoanilino)quinazolin-6-yl]acrylamide Formula: C17H13IN4O MolecularWeight: 416.21579

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)I

Isomeric SMILES

C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)I

InChI

InChI=1S/C17H13IN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)