methyl 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-(morpholinomethyl)quinazolin-4-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-(morpholinomethyl)quinazolin-4-yl]thio]methyl]benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C22H23N3O3S/c1-27-22(26)17-8-6-16(7-9-17)15-29-21-18-4-2-3-5-19(18)23-20(24-21)14-25-10-12-28-13-11-25/h2-9H,10-15H2,1H3