ditert-butyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3,3-bis(fluoranyl)pentanedioate

Systemtic Name: ditert-butyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3,3-bis(fluoranyl)pentanedioate Openeye Name: ditert-butyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3,3-difluoro-pentanedioate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-3,3-difluoropentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3,3-difluoropentanedioate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3,3-difluoro-glutaric acid ditert-butyl ester Formula: C27H33F2N7O6 MolecularWeight: 589.591026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)(F)F

InChI

InChI=1S/C27H33F2N7O6/c1-25(2,3)41-17(37)11-27(28,29)19(23(40)42-26(4,5)6)34-21(38)14-7-9-15(10-8-14)31-12-16-13-32-20-18(33-16)22(39)36-24(30)35-20/h7-10,13,19,31H,11-12H2,1-6H3,(H,34,38)(H3,30,32,35,36,39)