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

Systemtic Name: N,N-diethyl-3-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N,N-diethyl-3-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N,N-diethyl-3-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N,N-diethyl-3-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N,N-diethyl-3-(4-fluorophenyl)-4-keto-2-(m-anisylthio)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(=CC=C3)OC)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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