N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H19N5O5/c1-24-6-2-5-17-15-14(21(22)23)16(19-10-18-15)20-11-3-4-12-13(9-11)26-8-7-25-12/h3-4,9-10H,2,5-8H2,1H3,(H2,17,18,19,20)