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

Systemtic Name: N4-(1-methoxypropan-2-yl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-1-methyl-ethyl)-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(1-methoxypropan-2-yl)-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1-methoxypropan-2-yl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: (2-methoxy-1-methyl-ethyl)-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amine Formula: C13H21N5O4 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NCC2CCCO2

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NCC2CCCO2

InChI

InChI=1S/C13H21N5O4/c1-9(7-21-2)17-13-11(18(19)20)12(15-8-16-13)14-6-10-4-3-5-22-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)