N6-(1,3-benzodioxol-5-ylmethyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cycloheptyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cycloheptyl-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O4/c25-24(26)17-18(20-10-13-7-8-15-16(9-13)28-12-27-15)21-11-22-19(17)23-14-5-3-1-2-4-6-14/h7-9,11,14H,1-6,10,12H2,(H2,20,21,22,23)