N-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazin-1-yl-quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazin-1-yl-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-(6-nitro-7-piperazino-quinazolin-4-yl)amine Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

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