tert-butyl N-[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]-2-methoxy-phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]-2-methoxy-phenyl]carbamate Openeye Name: tert-butyl N-[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]-2-methoxy-phenyl]carbamate CAS Name: N-[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]-6-pteridinyl]-2-methoxyphenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]-2-methoxyphenyl]carbamate Traditional Name: N-[4-[4-ethoxy-2-[(4-fluorobenzyl)amino]pteridin-6-yl]-2-methoxy-phenyl]carbamic acid tert-butyl ester Formula: C27H29FN6O4 MolecularWeight: 520.555363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC2=NC=C(N=C21)C3=CC(=C(C=C3)NC(=O)OC(C)(C)C)OC)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=NC(=NC2=NC=C(N=C21)C3=CC(=C(C=C3)NC(=O)OC(C)(C)C)OC)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H29FN6O4/c1-6-37-24-22-23(33-25(34-24)30-14-16-7-10-18(28)11-8-16)29-15-20(31-22)17-9-12-19(21(13-17)36-5)32-26(35)38-27(2,3)4/h7-13,15H,6,14H2,1-5H3,(H,32,35)(H,29,30,33,34)