N4-(3-methylphenyl)-5-nitro-N2-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3-methylphenyl)-5-nitro-N2-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Openeye Name: N4-(m-tolyl)-5-nitro-N2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4,6-triamine CAS Name: N4-(3-methylphenyl)-5-nitro-N2-[[(2R)-2-oxolanyl]methyl]pyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3-methylphenyl)-5-nitro-2-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(m-toluidino)-5-nitro-pyrimidin-2-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C16H20N6O3 MolecularWeight: 344.3684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3CCCO3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC[C@H]3CCCO3

InChI

InChI=1S/C16H20N6O3/c1-10-4-2-5-11(8-10)19-15-13(22(23)24)14(17)20-16(21-15)18-9-12-6-3-7-25-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H4,17,18,19,20,21)/t12-/m1/s1