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

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Openeye Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one CAS Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-[2-(1-cyclohexenyl)ethyl]-4-quinazolinone IUPAC Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Traditional Name: 2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Formula: C25H23ClN4O2S MolecularWeight: 478.99372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C25H23ClN4O2S/c26-17-10-11-21-19(14-17)23(31)29-22(27-21)15-33-25-28-20-9-5-4-8-18(20)24(32)30(25)13-12-16-6-2-1-3-7-16/h4-6,8-11,14H,1-3,7,12-13,15H2,(H,27,29,31)