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

Systemtic Name: 2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-butyl-7-chloranyl-quinazolin-4-one Openeye Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-butyl-7-chloro-quinazolin-4-one CAS Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]-3-butyl-7-chloro-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-butyl-7-chloroquinazolin-4-one Traditional Name: 2-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]-3-butyl-7-chloro-quinazolin-4-one Formula: C18H22ClN7OS MolecularWeight: 419.93158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C18H22ClN7OS/c1-4-5-8-26-15(27)12-7-6-11(19)9-13(12)21-18(26)28-10-14-22-16(20)24-17(23-14)25(2)3/h6-7,9H,4-5,8,10H2,1-3H3,(H2,20,22,23,24)