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

Systemtic Name: 2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-bromanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-bromo-3-isobutyl-quinazolin-4-one CAS Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]-6-bromo-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-bromo-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]-6-bromo-3-isobutyl-quinazolin-4-one Formula: C18H22BrN7OS MolecularWeight: 464.38258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C18H22BrN7OS/c1-10(2)8-26-15(27)12-7-11(19)5-6-13(12)21-18(26)28-9-14-22-16(20)24-17(23-14)25(3)4/h5-7,10H,8-9H2,1-4H3,(H2,20,22,23,24)