methyl 4-[[2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]quinazolin-4-yl]amino]butanoate

Systemtic Name: methyl 4-[[2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl 4-[[2-[[methyl-[1-(2-thienyl)ethyl]amino]methyl]quinazolin-4-yl]amino]butanoate CAS Name: 4-[[2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]quinazolin-4-yl]amino]butanoate Traditional Name: 4-[[2-[[methyl-[1-(2-thienyl)ethyl]amino]methyl]quinazolin-4-yl]amino]butyric acid methyl ester Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N(C)CC2=NC3=CC=CC=C3C(=N2)NCCCC(=O)OC

Isomeric SMILES

CC(C1=CC=CS1)N(C)CC2=NC3=CC=CC=C3C(=N2)NCCCC(=O)OC

InChI

InChI=1S/C21H26N4O2S/c1-15(18-10-7-13-28-18)25(2)14-19-23-17-9-5-4-8-16(17)21(24-19)22-12-6-11-20(26)27-3/h4-5,7-10,13,15H,6,11-12,14H2,1-3H3,(H,22,23,24)