N6-butyl-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C12H21N5O3 MolecularWeight: 283.32684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N5O3/c1-4-5-6-13-11-10(17(18)19)12(15-8-14-11)16-9(2)7-20-3/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16)