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

Systemtic Name: methyl 2-[[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(5-chloro-2-thienyl)methyl-ethyl-amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-ethylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(5-chloro-2-thienyl)methyl-ethyl-amino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18ClN3O3S/c1-3-22(9-12-5-7-15(19)26-12)10-16-20-14-8-11(18(24)25-2)4-6-13(14)17(23)21-16/h4-8H,3,9-10H2,1-2H3,(H,20,21,23)