ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanyl-6-pent-1-ynyl-2-phenyl-pyrimidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanyl-6-pent-1-ynyl-2-phenyl-pyrimidine-4-carboxylate Openeye Name: ethyl 1-(tert-butoxycarbonylamino)-6-hydroxy-6-pent-1-ynyl-2-phenyl-pyrimidine-4-carboxylate CAS Name: 6-hydroxy-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-pent-1-ynyl-2-phenyl-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-6-pent-1-ynyl-2-phenylpyrimidine-4-carboxylate Traditional Name: 1-(tert-butoxycarbonylamino)-6-hydroxy-6-pent-1-ynyl-2-phenyl-pyrimidine-4-carboxylic acid ethyl ester Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1(C=C(N=C(N1NC(=O)OC(C)(C)C)C2=CC=CC=C2)C(=O)OCC)O

Isomeric SMILES

CCCC#CC1(C=C(N=C(N1NC(=O)OC(C)(C)C)C2=CC=CC=C2)C(=O)OCC)O

InChI

InChI=1S/C23H29N3O5/c1-6-8-12-15-23(29)16-18(20(27)30-7-2)24-19(17-13-10-9-11-14-17)26(23)25-21(28)31-22(3,4)5/h9-11,13-14,16,29H,6-8H2,1-5H3,(H,25,28)