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

Systemtic Name: N4-cyclohexyl-N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclohexyl-N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclohexyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: cyclohexyl-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H21N5O4/c24-23(25)16-17(21-12-4-2-1-3-5-12)19-11-20-18(16)22-13-6-7-14-15(10-13)27-9-8-26-14/h6-7,10-12H,1-5,8-9H2,(H2,19,20,21,22)