2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-fluorophenyl)methylthio]-N-(2-methoxyethyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(3-fluorobenzyl)thio]-4-keto-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C26H24FN3O3S MolecularWeight: 477.550463

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CC4=CC=CC=C4

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C26H24FN3O3S/c1-33-13-12-28-24(31)20-10-11-22-23(15-20)29-26(34-17-19-8-5-9-21(27)14-19)30(25(22)32)16-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16-17H2,1H3,(H,28,31)