N4-(3-bromophenyl)-7-[3-(diethylamino)propylsulfanyl]quinazoline-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-7-[3-(diethylamino)propylsulfanyl]quinazoline-4,6-diamine Openeye Name: N4-(3-bromophenyl)-7-[3-(diethylamino)propylsulfanyl]quinazoline-4,6-diamine CAS Name: N4-(3-bromophenyl)-7-[3-(diethylamino)propylthio]quinazoline-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-7-[3-(diethylamino)propylsulfanyl]quinazoline-4,6-diamine Traditional Name: 3-[[6-amino-4-(3-bromoanilino)quinazolin-7-yl]thio]propyl-diethyl-amine Formula: C21H26BrN5S MolecularWeight: 460.43364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCSC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)N

Isomeric SMILES

CCN(CC)CCCSC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)N

InChI

InChI=1S/C21H26BrN5S/c1-3-27(4-2)9-6-10-28-20-13-19-17(12-18(20)23)21(25-14-24-19)26-16-8-5-7-15(22)11-16/h5,7-8,11-14H,3-4,6,9-10,23H2,1-2H3,(H,24,25,26)