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

Systemtic Name: 2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]-3-butyl-quinazolin-4-one Openeye Name: 3-butyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-butyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-butyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-butyl-2-[(4,6-diamino-s-triazin-2-yl)methylthio]quinazolin-4-one Formula: C16H19N7OS MolecularWeight: 357.43336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C16H19N7OS/c1-2-3-8-23-13(24)10-6-4-5-7-11(10)19-16(23)25-9-12-20-14(17)22-15(18)21-12/h4-7H,2-3,8-9H2,1H3,(H4,17,18,20,21,22)