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

Systemtic Name: 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine Openeye Name: 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine CAS Name: 6-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-5-nitro-N2-phenethylpyrimidine-2,4-diamine IUPAC Name: 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-2-N-phenethylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(2R,6R)-2,6-dimethylmorpholino]-5-nitro-pyrimidin-2-yl]-phenethyl-amine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3/c1-12-10-23(11-13(2)27-12)17-15(24(25)26)16(19)21-18(22-17)20-9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H3,19,20,21,22)/t12-,13-/m1/s1