N-[3-methoxypropoxy(phenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine

Systemtic Name: N-[3-methoxypropoxy(phenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine Openeye Name: N-[3-methoxypropoxy(phenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine CAS Name: N-[3-methoxypropoxy(phenyl)methyl]-6-nitro-7-(1-piperazinyl)-2-quinazolinamine IUPAC Name: N-[3-methoxypropoxy(phenyl)methyl]-6-nitro-7-piperazin-1-ylquinazolin-2-amine Traditional Name: [3-methoxypropoxy(phenyl)methyl]-(6-nitro-7-piperazino-quinazolin-2-yl)amine Formula: C23H28N6O4 MolecularWeight: 452.50622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCOC(C1=CC=CC=C1)NC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

COCCCOC(C1=CC=CC=C1)NC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C23H28N6O4/c1-32-12-5-13-33-22(17-6-3-2-4-7-17)27-23-25-16-18-14-21(29(30)31)20(15-19(18)26-23)28-10-8-24-9-11-28/h2-4,6-7,14-16,22,24H,5,8-13H2,1H3,(H,25,26,27)