N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-nitro-7-piperazin-1-yl-quinazolin-2-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-nitro-7-piperazin-1-yl-quinazolin-2-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-nitro-7-piperazin-1-yl-quinazolin-2-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-nitro-7-(1-piperazinyl)-2-quinazolinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-nitro-7-piperazin-1-ylquinazolin-2-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(6-nitro-7-piperazino-quinazolin-2-yl)amine Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C=NC(=NC3=C2)NCC4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C=NC(=NC3=C2)NCC4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

InChI

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