N6-(3-methylbutyl)-5-nitro-N4-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylbutyl)-5-nitro-N4-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N4-allyl-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-5-nitro-N4-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C12H19N5O2 MolecularWeight: 265.31156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O2/c1-4-6-13-11-10(17(18)19)12(16-8-15-11)14-7-5-9(2)3/h4,8-9H,1,5-7H2,2-3H3,(H2,13,14,15,16)