2-[[3-[3-(diethylaminomethyl)-4-oxidanyl-phenyl]-6-iodanyl-4-oxidanylidene-quinazolin-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-[3-(diethylaminomethyl)-4-oxidanyl-phenyl]-6-iodanyl-4-oxidanylidene-quinazolin-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[3-(diethylaminomethyl)-4-hydroxy-phenyl]-6-iodo-4-oxo-quinazolin-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[3-(diethylaminomethyl)-4-hydroxyphenyl]-6-iodo-4-oxo-2-quinazolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[3-(diethylaminomethyl)-4-hydroxyphenyl]-6-iodo-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[3-[3-(diethylaminomethyl)-4-hydroxy-phenyl]-6-iodo-4-keto-quinazolin-2-yl]methyl]isoindoline-1,3-quinone Formula: C28H25IN4O4 MolecularWeight: 608.42697

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)CN4C(=O)C5=CC=CC=C5C4=O)O

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)CN4C(=O)C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C28H25IN4O4/c1-3-31(4-2)15-17-13-19(10-12-24(17)34)33-25(30-23-11-9-18(29)14-22(23)28(33)37)16-32-26(35)20-7-5-6-8-21(20)27(32)36/h5-14,34H,3-4,15-16H2,1-2H3