6-(3,4-dimethylphenoxy)-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(3,4-dimethylphenoxy)-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine Openeye Name: 6-(3,4-dimethylphenoxy)-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-4-amine CAS Name: 6-(3,4-dimethylphenoxy)-5-nitro-N-(2-oxolanylmethyl)-4-pyrimidinamine IUPAC Name: 6-(3,4-dimethylphenoxy)-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine Traditional Name: [6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3CCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3CCCO3)C

InChI

InChI=1S/C17H20N4O4/c1-11-5-6-13(8-12(11)2)25-17-15(21(22)23)16(19-10-20-17)18-9-14-4-3-7-24-14/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,19,20)