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

Systemtic Name: N-[(2S)-6-iodanyl-2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide Openeye Name: N-[(2S)-6-iodo-2-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide CAS Name: N-[(2S)-6-iodo-2-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-4-pyridinecarboxamide IUPAC Name: N-[(2S)-6-iodo-2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide Traditional Name: N-[(2S)-6-iodo-4-keto-2-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-1,2-dihydroquinazolin-3-yl]isonicotinamide Formula: C27H22IN5O3S MolecularWeight: 623.46475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2NC3=C(C=C(C=C3)I)C(=O)N2NC(=O)C4=CC=NC=C4)CSC5=CC=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2NC3=C(C=C(C=C3)I)C(=O)N2NC(=O)C4=CC=NC=C4)CSC5=CC=CC=N5

InChI

InChI=1S/C27H22IN5O3S/c1-36-23-8-5-18(14-19(23)16-37-24-4-2-3-11-30-24)25-31-22-7-6-20(28)15-21(22)27(35)33(25)32-26(34)17-9-12-29-13-10-17/h2-15,25,31H,16H2,1H3,(H,32,34)/t25-/m0/s1