5-nitro-N-(4-propan-2-ylphenyl)-6-pyrrolidin-1-yl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(4-propan-2-ylphenyl)-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: N-(4-isopropylphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: 5-nitro-N-(4-propan-2-ylphenyl)-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(4-propan-2-ylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: (5-nitro-6-pyrrolidino-pyrimidin-4-yl)-p-cumenyl-amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C17H21N5O2/c1-12(2)13-5-7-14(8-6-13)20-16-15(22(23)24)17(19-11-18-16)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,19,20)