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

Systemtic Name: N-[methoxy(phenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine Openeye Name: N-[methoxy(phenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine CAS Name: N-[methoxy(phenyl)methyl]-6-nitro-7-(1-piperazinyl)-2-quinazolinamine IUPAC Name: N-[methoxy(phenyl)methyl]-6-nitro-7-piperazin-1-ylquinazolin-2-amine Traditional Name: [methoxy(phenyl)methyl]-(6-nitro-7-piperazino-quinazolin-2-yl)amine Formula: C20H22N6O3 MolecularWeight: 394.42708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O3/c1-29-19(14-5-3-2-4-6-14)24-20-22-13-15-11-18(26(27)28)17(12-16(15)23-20)25-9-7-21-8-10-25/h2-6,11-13,19,21H,7-10H2,1H3,(H,22,23,24)