N,N-diethyl-2-[(4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N,N-diethyl-2-[(4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N,N-diethyl-2-[(4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N,N-diethyl-2-[(4-fluorophenyl)methylthio]-3-(3-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N,N-diethyl-2-[(4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N,N-diethyl-2-[(4-fluorobenzyl)thio]-4-keto-3-(3-methoxyphenyl)quinazoline-7-carboxamide Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)F)C4=CC(=CC=C4)OC

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)F)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H26FN3O3S/c1-4-30(5-2)25(32)19-11-14-23-24(15-19)29-27(35-17-18-9-12-20(28)13-10-18)31(26(23)33)21-7-6-8-22(16-21)34-3/h6-16H,4-5,17H2,1-3H3