2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one Openeye Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one CAS Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-(3-phenylpropyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one Traditional Name: 2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-3-(3-phenylpropyl)quinazolin-4-one Formula: C26H21ClN4O2S MolecularWeight: 488.98854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C26H21ClN4O2S/c27-18-12-13-22-20(15-18)24(32)30-23(28-22)16-34-26-29-21-11-5-4-10-19(21)25(33)31(26)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,15H,6,9,14,16H2,(H,28,30,32)