6-nitro-N-[(4-nitrophenyl)methyl]-7-piperazin-1-yl-quinazolin-4-amine

Systemtic Name: 6-nitro-N-[(4-nitrophenyl)methyl]-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: 6-nitro-N-[(4-nitrophenyl)methyl]-7-piperazin-1-yl-quinazolin-4-amine CAS Name: 6-nitro-N-[(4-nitrophenyl)methyl]-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: 6-nitro-N-[(4-nitrophenyl)methyl]-7-piperazin-1-ylquinazolin-4-amine Traditional Name: (4-nitrobenzyl)-(6-nitro-7-piperazino-quinazolin-4-yl)amine Formula: C19H19N7O4 MolecularWeight: 409.39866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N7O4/c27-25(28)14-3-1-13(2-4-14)11-21-19-15-9-18(26(29)30)17(10-16(15)22-12-23-19)24-7-5-20-6-8-24/h1-4,9-10,12,20H,5-8,11H2,(H,21,22,23)