methyl 4-[[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[2-(3-thienyl)quinazolin-4-yl]amino]methyl]benzoate CAS Name: 4-[[methyl-[2-(3-thiophenyl)-4-quinazolinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[methyl-[2-(3-thienyl)quinazolin-4-yl]amino]methyl]benzoic acid methyl ester Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C2=NC(=NC3=CC=CC=C32)C4=CSC=C4

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C2=NC(=NC3=CC=CC=C32)C4=CSC=C4

InChI

InChI=1S/C22H19N3O2S/c1-25(13-15-7-9-16(10-8-15)22(26)27-2)21-18-5-3-4-6-19(18)23-20(24-21)17-11-12-28-14-17/h3-12,14H,13H2,1-2H3