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

Systemtic Name: 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-N-(4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Formula: C25H25FN8O3 MolecularWeight: 504.516203

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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)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)OC

InChI

InChI=1S/C25H25FN8O3/c1-36-19-8-3-15(13-20(19)37-2)18-14-28-22-21(30-18)23(32-24(27)31-22)33-9-11-34(12-10-33)25(35)29-17-6-4-16(26)5-7-17/h3-8,13-14H,9-12H2,1-2H3,(H,29,35)(H2,27,28,31,32)