3-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[2-(morpholinomethyl)quinazolin-4-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[2-(morpholinomethyl)quinazolin-4-yl]thio]methyl]benzonitrile Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1COCCN1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H20N4OS/c22-13-16-4-3-5-17(12-16)15-27-21-18-6-1-2-7-19(18)23-20(24-21)14-25-8-10-26-11-9-25/h1-7,12H,8-11,14-15H2