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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-7-piperazin-1-yl-quinazolin-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-7-piperazin-1-yl-quinazolin-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-7-(1-piperazinyl)-2-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-7-piperazin-1-ylquinazolin-2-amine Traditional Name: (6-nitro-7-piperazino-quinazolin-2-yl)-piperonyl-amine Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C=NC(=NC3=C2)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C=NC(=NC3=C2)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4/c27-26(28)17-8-14-11-23-20(22-10-13-1-2-18-19(7-13)30-12-29-18)24-15(14)9-16(17)25-5-3-21-4-6-25/h1-2,7-9,11,21H,3-6,10,12H2,(H,22,23,24)