2-(3-tert-butylphenoxy)-N-cyclopropyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 2-(3-tert-butylphenoxy)-N-cyclopropyl-5-nitro-pyrimidin-4-amine Openeye Name: 2-(3-tert-butylphenoxy)-N-cyclopropyl-5-nitro-pyrimidin-4-amine CAS Name: 2-(3-tert-butylphenoxy)-N-cyclopropyl-5-nitro-4-pyrimidinamine IUPAC Name: 2-(3-tert-butylphenoxy)-N-cyclopropyl-5-nitropyrimidin-4-amine Traditional Name: [2-(3-tert-butylphenoxy)-5-nitro-pyrimidin-4-yl]-cyclopropyl-amine Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)OC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)OC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3/c1-17(2,3)11-5-4-6-13(9-11)24-16-18-10-14(21(22)23)15(20-16)19-12-7-8-12/h4-6,9-10,12H,7-8H2,1-3H3,(H,18,19,20)