4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carboxamide Openeye Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carboxamide CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-N-(3-chloro-4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carboxamide Formula: C25H24ClFN8O3 MolecularWeight: 538.961263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)NC5=CC(=C(C=C5)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)NC5=CC(=C(C=C5)F)Cl)OC

InChI

InChI=1S/C25H24ClFN8O3/c1-37-19-6-3-14(11-20(19)38-2)18-13-29-22-21(31-18)23(33-24(28)32-22)34-7-9-35(10-8-34)25(36)30-15-4-5-17(27)16(26)12-15/h3-6,11-13H,7-10H2,1-2H3,(H,30,36)(H2,28,29,32,33)