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

Systemtic Name: N-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]-3-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(3-fluorophenyl)methylthio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-2-[(3-fluorobenzyl)thio]-3-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C25H28FN3O2S MolecularWeight: 453.572123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=CC(=CC=C4)F

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=CC(=CC=C4)F

InChI

InChI=1S/C25H28FN3O2S/c1-16(2)14-29-24(31)21-11-10-18(23(30)27-20-8-3-4-9-20)13-22(21)28-25(29)32-15-17-6-5-7-19(26)12-17/h5-7,10-13,16,20H,3-4,8-9,14-15H2,1-2H3,(H,27,30)