5-nitro-N4-(1-phenylethyl)-N6-propyl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(1-phenylethyl)-N6-propyl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(1-phenylethyl)-N6-propyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(1-phenylethyl)-N6-propylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(1-phenylethyl)-6-N-propylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]-propyl-amine Formula: C15H19N5O2 MolecularWeight: 301.34366

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NC=N1)NC(C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NC=N1)NC(C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O2/c1-3-9-16-14-13(20(21)22)15(18-10-17-14)19-11(2)12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H2,16,17,18,19)