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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-ethylpiperazin-1-yl)-6-nitro-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-ethylpiperazin-1-yl)-6-nitro-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-ethyl-1-piperazinyl)-6-nitro-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-ethylpiperazin-1-yl)-6-nitroquinazolin-4-amine Traditional Name: [7-(4-ethylpiperazino)-6-nitro-quinazolin-4-yl]-piperonyl-amine Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4/c1-2-26-5-7-27(8-6-26)18-11-17-16(10-19(18)28(29)30)22(25-13-24-17)23-12-15-3-4-20-21(9-15)32-14-31-20/h3-4,9-11,13H,2,5-8,12,14H2,1H3,(H,23,24,25)