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

Systemtic Name: N2-(4-methylphenyl)-5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Openeye Name: 5-nitro-N2-(p-tolyl)-N4-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4,6-triamine CAS Name: N2-(4-methylphenyl)-5-nitro-N4-[[(2R)-2-oxolanyl]methyl]pyrimidine-2,4,6-triamine IUPAC Name: 2-N-(4-methylphenyl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Traditional Name: [6-amino-5-nitro-2-(p-toluidino)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=C(C=C1)NC2=NC(=C(C(=N2)NCC3CCCO3)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O3/c1-10-4-6-11(7-5-10)19-16-20-14(17)13(22(23)24)15(21-16)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