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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)NCC3CCCO3)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)NC[C@H]3CCCO3)[N+](=O)[O-])N

InChI

InChI=1S/C16H20N6O3/c1-10-4-2-5-11(8-10)19-16-20-14(17)13(22(23)24)15(21-16)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