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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O3/c1-10-4-6-11(7-5-10)19-15-13(22(23)24)14(17)20-16(21-15)18-9-12-3-2-8-25-12/h4-7,12H,2-3,8-9H2,1H3,(H4,17,18,19,20,21)/t12-/m1/s1