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

Systemtic Name: 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-N2-prop-2-enyl-pyrimidine-2,4-diamine Openeye Name: N2-allyl-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-prop-2-enylpyrimidine-2,4-diamine IUPAC Name: 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-2-N-prop-2-enylpyrimidine-2,4-diamine Traditional Name: allyl-[4-amino-6-[(2R,6R)-2,6-dimethylmorpholino]-5-nitro-pyrimidin-2-yl]amine Formula: C13H20N6O3 MolecularWeight: 308.3363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N6O3/c1-4-5-15-13-16-11(14)10(19(20)21)12(17-13)18-6-8(2)22-9(3)7-18/h4,8-9H,1,5-7H2,2-3H3,(H3,14,15,16,17)/t8-,9-/m1/s1