6-[[ethyl-[[4-(4-nitrophenyl)sulfonylphenyl]methyl]amino]methyl]quinazoline-2,4-diamine

Systemtic Name: 6-[[ethyl-[[4-(4-nitrophenyl)sulfonylphenyl]methyl]amino]methyl]quinazoline-2,4-diamine Openeye Name: 6-[[ethyl-[[4-(4-nitrophenyl)sulfonylphenyl]methyl]amino]methyl]quinazoline-2,4-diamine CAS Name: 6-[[ethyl-[[4-(4-nitrophenyl)sulfonylphenyl]methyl]amino]methyl]quinazoline-2,4-diamine IUPAC Name: 6-[[ethyl-[[4-(4-nitrophenyl)sulfonylphenyl]methyl]amino]methyl]quinazoline-2,4-diamine Traditional Name: (2,4-diaminoquinazolin-6-yl)methyl-ethyl-(4-nosylbenzyl)amine Formula: C24H24N6O4S MolecularWeight: 492.55016

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)N=C(N=C4N)N

Isomeric SMILES

CCN(CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)N=C(N=C4N)N

InChI

InChI=1S/C24H24N6O4S/c1-2-29(15-17-5-12-22-21(13-17)23(25)28-24(26)27-22)14-16-3-8-19(9-4-16)35(33,34)20-10-6-18(7-11-20)30(31)32/h3-13H,2,14-15H2,1H3,(H4,25,26,27,28)