N-[2,4-bis(azanyl)quinazolin-6-yl]-N-[[4-[[[2,4-bis(azanyl)quinazolin-7-yl]-nitroso-amino]methyl]-2,3,5,6-tetrakis(chloranyl)phenyl]methyl]nitrous amide; ethanoic acid

Systemtic Name: N-[2,4-bis(azanyl)quinazolin-6-yl]-N-[[4-[[[2,4-bis(azanyl)quinazolin-7-yl]-nitroso-amino]methyl]-2,3,5,6-tetrakis(chloranyl)phenyl]methyl]nitrous amide; ethanoic acid Openeye Name: acetic acid; N-(2,4-diaminoquinazolin-6-yl)-N-[[2,3,5,6-tetrachloro-4-[[(2,4-diaminoquinazolin-7-yl)-nitroso-amino]methyl]phenyl]methyl]nitrous amide CAS Name: acetic acid; N-(2,4-diamino-6-quinazolinyl)-N-[[2,3,5,6-tetrachloro-4-[[(2,4-diamino-7-quinazolinyl)-nitrosoamino]methyl]phenyl]methyl]nitrous amide IUPAC Name: acetic acid; N-(2,4-diaminoquinazolin-6-yl)-N-[[2,3,5,6-tetrachloro-4-[[(2,4-diaminoquinazolin-7-yl)-nitrosoamino]methyl]phenyl]methyl]nitrous amide Traditional Name: acetic acid; N-(2,4-diaminoquinazolin-6-yl)-N-[2,3,5,6-tetrachloro-4-[[(2,4-diaminoquinazolin-7-yl)-nitroso-amino]methyl]benzyl]nitrous amide Formula: C28H26Cl4N12O6 MolecularWeight: 768.39484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.C1=CC2=C(C=C1N(CC3=C(C(=C(C(=C3Cl)Cl)CN(C4=CC5=C(C=C4)N=C(N=C5N)N)N=O)Cl)Cl)N=O)N=C(N=C2N)N

Isomeric SMILES

CC(=O)O.CC(=O)O.C1=CC2=C(C=C1N(CC3=C(C(=C(C(=C3Cl)Cl)CN(C4=CC5=C(C=C4)N=C(N=C5N)N)N=O)Cl)Cl)N=O)N=C(N=C2N)N

InChI

InChI=1S/C24H18Cl4N12O2.2C2H4O2/c25-17-13(7-39(37-41)9-2-4-15-12(5-9)22(30)36-23(31)33-15)18(26)20(28)14(19(17)27)8-40(38-42)10-1-3-11-16(6-10)34-24(32)35-21(11)29;2*1-2(3)4/h1-6H,7-8H2,(H4,29,32,34,35)(H4,30,31,33,36);2*1H3,(H,3,4)