methyl 2-[[(5-methylthiophen-2-yl)methyl-phenethyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(5-methylthiophen-2-yl)methyl-phenethyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(5-methyl-2-thienyl)methyl-phenethyl-amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(5-methyl-2-thiophenyl)methyl-phenethylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-methylthiophen-2-yl)methyl-phenethylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(5-methyl-2-thienyl)methyl-phenethyl-amino]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H25N3O3S/c1-17-8-10-20(32-17)15-28(13-12-18-6-4-3-5-7-18)16-23-26-22-14-19(25(30)31-2)9-11-21(22)24(29)27-23/h3-11,14H,12-13,15-16H2,1-2H3,(H,26,27,29)