N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitro-1-pyrazolyl)-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine Traditional Name: [6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]-piperonyl-amine Formula: C16H14N6O4 MolecularWeight: 354.32016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H14N6O4/c1-10-4-15(17-6-11-2-3-13-14(5-11)26-9-25-13)20-16(19-10)21-8-12(7-18-21)22(23)24/h2-5,7-8H,6,9H2,1H3,(H,17,19,20)