(phenylmethyl) 5-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]pentanoate

Systemtic Name: (phenylmethyl) 5-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]pentanoate Openeye Name: benzyl 5-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]pentanoate CAS Name: 5-[[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]pentanoate Traditional Name: 5-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]valeric acid benzyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC=N2)NCCCCC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C(=NC=N2)NCCCCC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c26-17(30-14-16-6-2-1-3-7-16)8-4-5-9-21-19-18(25(27)28)20(23-15-22-19)24-10-12-29-13-11-24/h1-3,6-7,15H,4-5,8-14H2,(H,21,22,23)