N-[[6-chloranyl-4-(cyclopentylamino)quinazolin-2-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[[6-chloranyl-4-(cyclopentylamino)quinazolin-2-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[[6-chloro-4-(cyclopentylamino)quinazolin-2-yl]methyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[[6-chloro-4-(cyclopentylamino)-2-quinazolinyl]methyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[[6-chloro-4-(cyclopentylamino)quinazolin-2-yl]methyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[[6-chloro-4-(cyclopentylamino)quinazolin-2-yl]methyl]-2-(4-pyridylthio)acetamide Formula: C21H22ClN5OS MolecularWeight: 427.95028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC3=C2C=C(C=C3)Cl)CNC(=O)CSC4=CC=NC=C4

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC3=C2C=C(C=C3)Cl)CNC(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C21H22ClN5OS/c22-14-5-6-18-17(11-14)21(25-15-3-1-2-4-15)27-19(26-18)12-24-20(28)13-29-16-7-9-23-10-8-16/h5-11,15H,1-4,12-13H2,(H,24,28)(H,25,26,27)