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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-methyl-2-(4-nitro-1-pyrazolyl)-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amine Formula: C15H12N6O4 MolecularWeight: 340.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C15H12N6O4/c1-9-4-14(18-10-2-3-12-13(5-10)25-8-24-12)19-15(17-9)20-7-11(6-16-20)21(22)23/h2-7H,8H2,1H3,(H,17,18,19)