N-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazin-1-yl-quinazolin-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazin-1-yl-quinazolin-2-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazin-1-yl-quinazolin-2-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-nitro-7-(1-piperazinyl)-2-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazin-1-ylquinazolin-2-amine Traditional Name: 1,3-benzodioxol-5-yl-(6-nitro-7-piperazino-quinazolin-2-yl)amine Formula: C19H18N6O4 MolecularWeight: 394.38402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C=NC(=NC3=C2)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C=NC(=NC3=C2)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4/c26-25(27)16-7-12-10-21-19(22-13-1-2-17-18(8-13)29-11-28-17)23-14(12)9-15(16)24-5-3-20-4-6-24/h1-2,7-10,20H,3-6,11H2,(H,21,22,23)