N-[(3-chlorophenyl)methyl]-6-fluoranyl-5-[2-(4-methylsulfonylpiperazin-2-yl)ethoxy]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-6-fluoranyl-5-[2-(4-methylsulfonylpiperazin-2-yl)ethoxy]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-(4-methylsulfonylpiperazin-2-yl)ethoxy]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-(4-methylsulfonyl-2-piperazinyl)ethoxy]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-(4-methylsulfonylpiperazin-2-yl)ethoxy]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-(3-chlorobenzyl)-6-fluoro-4-keto-5-[2-(4-mesylpiperazin-2-yl)ethoxy]-1H-quinazoline-2-carboxamide Formula: C23H25ClFN5O5S MolecularWeight: 537.991503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCNC(C1)CCOC2=C(C=CC3=C2C(=O)N=C(N3)C(=O)NCC4=CC(=CC=C4)Cl)F

Isomeric SMILES

CS(=O)(=O)N1CCNC(C1)CCOC2=C(C=CC3=C2C(=O)N=C(N3)C(=O)NCC4=CC(=CC=C4)Cl)F

InChI

InChI=1S/C23H25ClFN5O5S/c1-36(33,34)30-9-8-26-16(13-30)7-10-35-20-17(25)5-6-18-19(20)22(31)29-21(28-18)23(32)27-12-14-3-2-4-15(24)11-14/h2-6,11,16,26H,7-10,12-13H2,1H3,(H,27,32)(H,28,29,31)