N6-[2-(cyclohexen-1-yl)ethyl]-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H23N5O4 MolecularWeight: 397.42772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N5O4/c26-25(27)18-19(21-9-8-14-4-2-1-3-5-14)22-13-23-20(18)24-15-6-7-16-17(12-15)29-11-10-28-16/h4,6-7,12-13H,1-3,5,8-11H2,(H2,21,22,23,24)