2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-[2-(1-cyclohexenyl)ethyl]-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C25H25N5OS/c26-23-18-10-4-6-12-20(18)27-22(29-23)16-32-25-28-21-13-7-5-11-19(21)24(31)30(25)15-14-17-8-2-1-3-9-17/h4-8,10-13H,1-3,9,14-16H2,(H2,26,27,29)