N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: homopiperonyl-(6-nitro-7-piperazino-quinazolin-4-yl)amine Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c28-27(29)18-10-15-16(11-17(18)26-7-5-22-6-8-26)24-12-25-21(15)23-4-3-14-1-2-19-20(9-14)31-13-30-19/h1-2,9-12,22H,3-8,13H2,(H,23,24,25)