2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(2R,6R)-2,6-dimethylmorpholino]-5-nitro-pyrimidin-4-yl]-benzyl-amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O3/c1-11-9-22(10-12(2)26-11)17-20-15(18)14(23(24)25)16(21-17)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