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

Systemtic Name: 2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]-7-chloranyl-3-propyl-quinazolin-4-one Openeye Name: 7-chloro-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 7-chloro-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 7-chloro-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 7-chloro-2-[(4,6-diamino-s-triazin-2-yl)methylthio]-3-propyl-quinazolin-4-one Formula: C15H16ClN7OS MolecularWeight: 377.85184

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C15H16ClN7OS/c1-2-5-23-12(24)9-4-3-8(16)6-10(9)19-15(23)25-7-11-20-13(17)22-14(18)21-11/h3-4,6H,2,5,7H2,1H3,(H4,17,18,20,21,22)