tert-butyl 4-[2-[(6-iodanyl-5-phenyl-furo[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(6-iodanyl-5-phenyl-furo[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(6-iodo-5-phenyl-furo[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[(6-iodo-5-phenyl-4-furo[2,3-d]pyrimidinyl)amino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(6-iodo-5-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-iodo-5-phenyl-furo[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H28IN5O3 MolecularWeight: 549.40459

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCNC2=C3C(=C(OC3=NC=N2)I)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCNC2=C3C(=C(OC3=NC=N2)I)C4=CC=CC=C4

InChI

InChI=1S/C23H28IN5O3/c1-23(2,3)32-22(30)29-13-11-28(12-14-29)10-9-25-20-18-17(16-7-5-4-6-8-16)19(24)31-21(18)27-15-26-20/h4-8,15H,9-14H2,1-3H3,(H,25,26,27)