2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-isobutyl-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2-fluorophenyl)methylthio]-3-(2-methylpropyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2-fluorobenzyl)thio]-3-isobutyl-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C23H26FN3O2S MolecularWeight: 427.534843

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)CC(C)C

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)CC(C)C

InChI

InChI=1S/C23H26FN3O2S/c1-4-11-25-21(28)16-9-10-18-20(12-16)26-23(27(22(18)29)13-15(2)3)30-14-17-7-5-6-8-19(17)24/h5-10,12,15H,4,11,13-14H2,1-3H3,(H,25,28)