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

Systemtic Name: N2-(3,4-dimethylphenyl)-5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Openeye Name: N2-(3,4-dimethylphenyl)-5-nitro-N4-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4,6-triamine CAS Name: N2-(3,4-dimethylphenyl)-5-nitro-N4-[[(2R)-2-oxolanyl]methyl]pyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3,4-dimethylphenyl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O3/c1-10-5-6-12(8-11(10)2)20-17-21-15(18)14(23(24)25)16(22-17)19-9-13-4-3-7-26-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H4,18,19,20,21,22)/t13-/m1/s1