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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c1-2-22-5-7-23(8-6-22)18-16(24(25)26)17(19-12-20-18)21-13-3-4-14-15(11-13)28-10-9-27-14/h3-4,11-12H,2,5-10H2,1H3,(H,19,20,21)