6-(3,4-dimethylphenoxy)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,4-dimethylphenoxy)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dimethylphenoxy)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dimethylphenoxy)-N-(3-methoxypropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dimethylphenoxy)-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4/c1-11-5-6-13(9-12(11)2)24-16-14(20(21)22)15(18-10-19-16)17-7-4-8-23-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,18,19)