N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-[[(2R)-2-oxolanyl]methyl]acetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-19(22-13-16-9-6-12-27-16)14-28-21-24-18-11-5-4-10-17(18)20(25-21)23-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,22,26)(H,23,24,25)/t16-/m1/s1