N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O4/c29-28(30)20-21(25-16-6-7-18-19(14-16)32-13-12-31-18)23-15-24-22(20)27-10-8-26(9-11-27)17-4-2-1-3-5-17/h1-7,14-15H,8-13H2,(H,23,24,25)