2-[2-[[[4-(cyclopentylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanyl-N-ethyl-benzamide

Systemtic Name: 2-[2-[[[4-(cyclopentylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanyl-N-ethyl-benzamide Openeye Name: 2-[2-[[[4-(cyclopentylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanyl-N-ethyl-benzamide CAS Name: 2-[[2-[[[4-(cyclopentylamino)-2-quinazolinyl]amino]methyl]phenyl]thio]-N-ethylbenzamide IUPAC Name: 2-[2-[[[4-(cyclopentylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanyl-N-ethylbenzamide Traditional Name: 2-[[2-[[[4-(cyclopentylamino)quinazolin-2-yl]amino]methyl]phenyl]thio]-N-ethyl-benzamide Formula: C29H31N5OS MolecularWeight: 497.65434

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC=C1SC2=CC=CC=C2CNC3=NC4=CC=CC=C4C(=N3)NC5CCCC5

Isomeric SMILES

CCNC(=O)C1=CC=CC=C1SC2=CC=CC=C2CNC3=NC4=CC=CC=C4C(=N3)NC5CCCC5

InChI

InChI=1S/C29H31N5OS/c1-2-30-28(35)23-15-7-10-18-26(23)36-25-17-9-3-11-20(25)19-31-29-33-24-16-8-6-14-22(24)27(34-29)32-21-12-4-5-13-21/h3,6-11,14-18,21H,2,4-5,12-13,19H2,1H3,(H,30,35)(H2,31,32,33,34)