4-(2-ethynyl-5-nitro-furan-3-yl)-6-methyl-pyrimidin-2-amine

Systemtic Name: 4-(2-ethynyl-5-nitro-furan-3-yl)-6-methyl-pyrimidin-2-amine Openeye Name: 4-(2-ethynyl-5-nitro-3-furyl)-6-methyl-pyrimidin-2-amine CAS Name: 4-(2-ethynyl-5-nitro-3-furanyl)-6-methyl-2-pyrimidinamine IUPAC Name: 4-(2-ethynyl-5-nitrofuran-3-yl)-6-methylpyrimidin-2-amine Traditional Name: [4-(2-ethynyl-5-nitro-3-furyl)-6-methyl-pyrimidin-2-yl]amine Formula: C11H8N4O3 MolecularWeight: 244.20622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=C(OC(=C2)[N+](=O)[O-])C#C)N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=C(OC(=C2)[N+](=O)[O-])C#C)N

InChI

InChI=1S/C11H8N4O3/c1-3-9-7(5-10(18-9)15(16)17)8-4-6(2)13-11(12)14-8/h1,4-5H,2H3,(H2,12,13,14)