N-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-(2,2-dimethylcoumaran-7-yl)oxy-5-nitro-pyrimidin-4-yl]amine Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N4O4/c1-17(2)8-10-4-3-5-13(14(10)25-17)24-16-18-9-12(21(22)23)15(20-16)19-11-6-7-11/h3-5,9,11H,6-8H2,1-2H3,(H,18,19,20)