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

Systemtic Name: N4-methyl-N6-(3-methylbutyl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N4-methyl-N6-(3-methylbutyl)-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-6-N-(3-methylbutyl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-(isoamylamino)-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)N(C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)N(C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2/c1-12(2)9-10-17-15-14(21(22)23)16(19-11-18-15)20(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,18,19)