6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2-phenylmethoxypyridin-4-yl)methyl]hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2-phenylmethoxypyridin-4-yl)methyl]hexanamide Openeye Name: N-[(2-benzyloxy-4-pyridyl)methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2-phenylmethoxypyridin-4-yl)methyl]hexanamide Traditional Name: N-[(2-benzoxy-4-pyridyl)methyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC=CC(=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC=CC(=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C27H28N4O3S/c32-24(29-18-21-14-15-28-25(17-21)34-19-20-9-3-1-4-10-20)13-5-2-8-16-31-26(33)22-11-6-7-12-23(22)30-27(31)35/h1,3-4,6-7,9-12,14-15,17H,2,5,8,13,16,18-19H2,(H,29,32)(H,30,35)