N4,N4-bis(2-methylpropyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4,N4-bis(2-methylpropyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4,N4-diisobutyl-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4,N4-bis(2-methylpropyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-bis(2-methylpropyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: diisobutyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2/c1-15(2)12-24(13-16(3)4)20-18(25(26)27)19(22-14-23-20)21-11-10-17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3,(H,21,22,23)