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

Systemtic Name: 2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]-3-cyclohexyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-cyclohexyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclohexyl-2-[(4,6-diamino-s-triazin-2-yl)methylthio]quinazolin-4-one Formula: C18H21N7OS MolecularWeight: 383.47064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)N)N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C18H21N7OS/c19-16-22-14(23-17(20)24-16)10-27-18-21-13-9-5-4-8-12(13)15(26)25(18)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H4,19,20,22,23,24)