N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-fluorobenzyl)thio]-4-keto-quinazoline-7-carboxamide Formula: C29H28FN3O2S MolecularWeight: 501.614923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC(=CC=C5)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC(=CC=C5)F)C

InChI

InChI=1S/C29H28FN3O2S/c1-18-12-19(2)14-24(13-18)33-28(35)25-11-10-21(27(34)31-23-8-3-4-9-23)16-26(25)32-29(33)36-17-20-6-5-7-22(30)15-20/h5-7,10-16,23H,3-4,8-9,17H2,1-2H3,(H,31,34)