6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N2-benzyl-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-benzyl-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(2R,6R)-2,6-dimethylmorpholino]-5-nitro-pyrimidin-2-yl]-benzyl-amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3/c1-11-9-22(10-12(2)26-11)16-14(23(24)25)15(18)20-17(21-16)19-8-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H3,18,19,20,21)/t11-,12-/m1/s1