2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]-7-chloranyl-3-cyclohexyl-quinazolin-4-one

Systemtic Name: 2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]-7-chloranyl-3-cyclohexyl-quinazolin-4-one Openeye Name: 7-chloro-3-cyclohexyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-cyclohexyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-cyclohexyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-cyclohexyl-2-[(4,6-diamino-s-triazin-2-yl)methylthio]quinazolin-4-one Formula: C18H20ClN7OS MolecularWeight: 417.9157

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NC(=NC(=N4)N)N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C18H20ClN7OS/c19-10-6-7-12-13(8-10)22-18(26(15(12)27)11-4-2-1-3-5-11)28-9-14-23-16(20)25-17(21)24-14/h6-8,11H,1-5,9H2,(H4,20,21,23,24,25)