N-[2-(4-butylsulfanylphenoxy)propyl]-6-methyl-quinazolin-4-amine

Systemtic Name: N-[2-(4-butylsulfanylphenoxy)propyl]-6-methyl-quinazolin-4-amine Openeye Name: N-[2-(4-butylsulfanylphenoxy)propyl]-6-methyl-quinazolin-4-amine CAS Name: N-[2-[4-(butylthio)phenoxy]propyl]-6-methyl-4-quinazolinamine IUPAC Name: N-[2-(4-butylsulfanylphenoxy)propyl]-6-methylquinazolin-4-amine Traditional Name: 2-[4-(butylthio)phenoxy]propyl-(6-methylquinazolin-4-yl)amine Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)OC(C)CNC2=NC=NC3=C2C=C(C=C3)C

Isomeric SMILES

CCCCSC1=CC=C(C=C1)OC(C)CNC2=NC=NC3=C2C=C(C=C3)C

InChI

InChI=1S/C22H27N3OS/c1-4-5-12-27-19-9-7-18(8-10-19)26-17(3)14-23-22-20-13-16(2)6-11-21(20)24-15-25-22/h6-11,13,15,17H,4-5,12,14H2,1-3H3,(H,23,24,25)