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

Systemtic Name: N6-butyl-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4,N4-diisobutyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4,N4-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(butylamino)-5-nitro-pyrimidin-4-yl]-diisobutyl-amine Formula: C16H29N5O2 MolecularWeight: 323.43376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)N(CC(C)C)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)N(CC(C)C)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H29N5O2/c1-6-7-8-17-15-14(21(22)23)16(19-11-18-15)20(9-12(2)3)10-13(4)5/h11-13H,6-10H2,1-5H3,(H,17,18,19)