4-butoxy-N-[6-iodanyl-2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzamide

Systemtic Name: 4-butoxy-N-[6-iodanyl-2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzamide Openeye Name: 4-butoxy-N-[6-iodo-2-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide CAS Name: 4-butoxy-N-[6-iodo-2-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide IUPAC Name: 4-butoxy-N-[6-iodo-2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide Traditional Name: 4-butoxy-N-[6-iodo-4-keto-2-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-1,2-dihydroquinazolin-3-yl]benzamide Formula: C32H31IN4O4S MolecularWeight: 694.58241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NN2C(NC3=C(C2=O)C=C(C=C3)I)C4=CC(=C(C=C4)OC)CSC5=CC=CC=N5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NN2C(NC3=C(C2=O)C=C(C=C3)I)C4=CC(=C(C=C4)OC)CSC5=CC=CC=N5

InChI

InChI=1S/C32H31IN4O4S/c1-3-4-17-41-25-12-8-21(9-13-25)31(38)36-37-30(35-27-14-11-24(33)19-26(27)32(37)39)22-10-15-28(40-2)23(18-22)20-42-29-7-5-6-16-34-29/h5-16,18-19,30,35H,3-4,17,20H2,1-2H3,(H,36,38)