N4-(3-methylbutyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-methylbutyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-isopentyl-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(3-methylbutyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylbutyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: isoamyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=C2

InChI

InChI=1S/C17H23N5O2/c1-13(2)8-10-18-16-15(22(23)24)17(21-12-20-16)19-11-9-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,18,19,20,21)