2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-bromanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-bromanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-bromo-3-propyl-quinazolin-4-one CAS Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]-6-bromo-3-propyl-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-bromo-3-propylquinazolin-4-one Traditional Name: 2-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]-6-bromo-3-propyl-quinazolin-4-one Formula: C17H20BrN7OS MolecularWeight: 450.356

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C17H20BrN7OS/c1-4-7-25-14(26)11-8-10(18)5-6-12(11)20-17(25)27-9-13-21-15(19)23-16(22-13)24(2)3/h5-6,8H,4,7,9H2,1-3H3,(H2,19,21,22,23)