tert-butyl 2-[[2-(diethylamino)-5-nitro-pyrimidin-4-yl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: tert-butyl 2-[[2-(diethylamino)-5-nitro-pyrimidin-4-yl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: tert-butyl 2-[[2-(diethylamino)-5-nitro-pyrimidin-4-yl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[2-(diethylamino)-5-nitro-4-pyrimidinyl]amino]-3-(4-hydroxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(diethylamino)-5-nitropyrimidin-4-yl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-(diethylamino)-5-nitro-pyrimidin-4-yl]amino]-3-(4-hydroxyphenyl)propionic acid tert-butyl ester Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=C(C(=N1)NC(CC2=CC=C(C=C2)O)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=NC=C(C(=N1)NC(CC2=CC=C(C=C2)O)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O5/c1-6-25(7-2)20-22-13-17(26(29)30)18(24-20)23-16(19(28)31-21(3,4)5)12-14-8-10-15(27)11-9-14/h8-11,13,16,27H,6-7,12H2,1-5H3,(H,22,23,24)