N-(3-bromophenyl)-7-[3-(diethylamino)propylsulfanyl]-6-nitro-quinazolin-4-amine

Systemtic Name: N-(3-bromophenyl)-7-[3-(diethylamino)propylsulfanyl]-6-nitro-quinazolin-4-amine Openeye Name: N-(3-bromophenyl)-7-[3-(diethylamino)propylsulfanyl]-6-nitro-quinazolin-4-amine CAS Name: N-(3-bromophenyl)-7-[3-(diethylamino)propylthio]-6-nitro-4-quinazolinamine IUPAC Name: N-(3-bromophenyl)-7-[3-(diethylamino)propylsulfanyl]-6-nitroquinazolin-4-amine Traditional Name: 3-[[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]thio]propyl-diethyl-amine Formula: C21H24BrN5O2S MolecularWeight: 490.41656

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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+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCSC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H24BrN5O2S/c1-3-26(4-2)9-6-10-30-20-13-18-17(12-19(20)27(28)29)21(24-14-23-18)25-16-8-5-7-15(22)11-16/h5,7-8,11-14H,3-4,6,9-10H2,1-2H3,(H,23,24,25)