3-[4-[8-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-5-methyl-6-oxidanylidene-7H-pteridin-2-yl]piperazin-1-yl]-N-pyridin-2-yl-propanamide

Systemtic Name: 3-[4-[8-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-5-methyl-6-oxidanylidene-7H-pteridin-2-yl]piperazin-1-yl]-N-pyridin-2-yl-propanamide Openeye Name: 3-[4-[8-[(4-chloro-2-fluoro-phenyl)methyl]-5-methyl-6-oxo-7H-pteridin-2-yl]piperazin-1-yl]-N-(2-pyridyl)propanamide CAS Name: 3-[4-[8-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-6-oxo-7H-pteridin-2-yl]-1-piperazinyl]-N-(2-pyridinyl)propanamide IUPAC Name: 3-[4-[8-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-6-oxo-7H-pteridin-2-yl]piperazin-1-yl]-N-pyridin-2-ylpropanamide Traditional Name: 3-[4-[8-(4-chloro-2-fluoro-benzyl)-6-keto-5-methyl-7H-pteridin-2-yl]piperazino]-N-(2-pyridyl)propionamide Formula: C26H28ClFN8O2 MolecularWeight: 539.004323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(C2=NC(=NC=C21)N3CCN(CC3)CCC(=O)NC4=CC=CC=N4)CC5=C(C=C(C=C5)Cl)F

Isomeric SMILES

CN1C(=O)CN(C2=NC(=NC=C21)N3CCN(CC3)CCC(=O)NC4=CC=CC=N4)CC5=C(C=C(C=C5)Cl)F

InChI

InChI=1S/C26H28ClFN8O2/c1-33-21-15-30-26(32-25(21)36(17-24(33)38)16-18-5-6-19(27)14-20(18)28)35-12-10-34(11-13-35)9-7-23(37)31-22-4-2-3-8-29-22/h2-6,8,14-15H,7,9-13,16-17H2,1H3,(H,29,31,37)