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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2C5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2C5=CC(=CC=C5)F

InChI

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