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

Systemtic Name: N4-(3,4-dimethylphenyl)-5-nitro-N2-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Openeye Name: N4-(3,4-dimethylphenyl)-5-nitro-N2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4,6-triamine CAS Name: N4-(3,4-dimethylphenyl)-5-nitro-N2-[[(2R)-2-oxolanyl]methyl]pyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-5-nitro-2-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-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(=NC(=C2[N+](=O)[O-])N)NCC3CCCO3)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O3/c1-10-5-6-12(8-11(10)2)20-16-14(23(24)25)15(18)21-17(22-16)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